(E)-4-Amino-2-butenoic acid
PubChem CID
5310987
Structure
Molecular Formula
Synonyms
- TACA
- 38090-53-8
- (E)-4-Amino-2-butenoic acid
- trans-4-Aminocrotonic acid
- (E)-4-aminobut-2-enoic acid
Molecular Weight
101.10 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-25
- Modify:2025-01-25
Chemical Structure Depiction
(E)-4-aminobut-2-enoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1+
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
FMKJUUQOYOHLTF-OWOJBTEDSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C(/C=C/C(=O)O)N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C4H7NO2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
25747-40-4
38090-53-8
- 4-aminocrotonic acid
- 4-aminocrotonic acid, E
- 4-aminocrotonic acid, Z
- cis-4-aminocrotonic acid
- trans-4-aminocrotonic acid
- TACA
- 38090-53-8
- (E)-4-Amino-2-butenoic acid
- trans-4-Aminocrotonic acid
- (E)-4-aminobut-2-enoic acid
- 4-aminocrotonic acid
- TRANS-4-AMINOCROTONICACID
- 4-aminobut-2-enoic acid
- 25747-40-4
- t-4-AMINOCROTONIC ACID (TACA)
- 2-Butenoic acid, 4-amino-, (2E)-
- 4-trans-Aminocrotonic acid
- S2R6R1I2MP
- 2-Butenoic acid, 4-amino-
- CHEMBL33086
- DTXSID8045648
- (2E)-4-AMINOBUT-2-ENOIC ACID
- NCGC00024485-02
- DTXCID6025648
- CAS-38090-53-8
- SR-01000075646
- TACA; trans-4-Amino-2-butenoic Acid, trans-4-Aminocrotonic Acid; (E)-4-Amino-2-butenoic Acid; (2E)-4-Amino-2-butenoic Acid;
- 4 Aminocrotonic Acid
- Spectrum5_001675
- Biomol-NT_000233
- UNII-S2R6R1I2MP
- 4-Amino-but-2-enoic acid
- Lopac0_001145
- BSPBio_002528
- SCHEMBL232135
- SCHEMBL489325
- SPECTRUM1502123
- BPBio1_000683
- (E)-4-amino-but-2-enoic acid
- HMS3263F11
- Tox21_110902
- Tox21_501145
- BDBM50087271
- CCG-39246
- PDSP1_000613
- PDSP2_000610
- AKOS022632601
- Tox21_110902_1
- AT40253
- LP01145
- SDCCGSBI-0051112.P002
- NCGC00024485-03
- NCGC00024485-04
- NCGC00024485-05
- NCGC00024485-06
- NCGC00024485-07
- NCGC00024485-08
- NCGC00024485-11
- NCGC00261830-01
- (E)-4-Amino-but-2-enoic acid (TACA)
- DA-78157
- MS-22730
- HY-100800
- CS-0020447
- EU-0101145
- EN300-188085
- T 1694
- EN300-1448586
- SR-01000075646-1
- SR-01000075646-3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
101.10 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
-3.2
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
101.047678466 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
101.047678466 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
63.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
7
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
87.7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Stereo Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Stereo Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=FMKJUUQOYOHLTF-OWOJBTEDSA-N
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- ChemIDplus4-Aminocrotonic acidhttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=00257474044-Aminocrotonic acidhttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0038090538ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox(E)-4-amino-2-butenoic acidhttps://comptox.epa.gov/dashboard/DTXSID8045648CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking4-AMINOCROTONIC ACIDhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/S2R6R1I2MP
- Comparative Toxicogenomics Database (CTD)LICENSEIt is to be used only for research and educational purposes. Any reproduction or use for commercial purpose is prohibited without the prior express written permission of NC State University.http://ctdbase.org/about/legal.jsp4-aminocrotonic acidhttps://ctdbase.org/detail.go?type=chem&acc=C055331
- Japan Chemical Substance Dictionary (Nikkaji)
- PharosLICENSEData accessed from Pharos and TCRD is publicly available from the primary sources listed above. Please respect their individual licenses regarding proper use and redistribution.https://pharos.nih.gov/about4-aminobut-2-enoic acidhttps://pharos.nih.gov/ligands/1S25U83UWYS1
- Springer Nature
- Wikidata(E)-4-amino-2-butenoic acidhttps://www.wikidata.org/wiki/Q81984334
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html4-aminocrotonic acidhttps://www.ncbi.nlm.nih.gov/mesh/67055331
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388317722https://pubchem.ncbi.nlm.nih.gov/substance/388317722
CONTENTS