L-2-amino-3-butynoic acid
PubChem CID
175496
Structure
Molecular Formula
Synonyms
- L-2-amino-3-butynoic acid
- Antibiotic FR 900130
- (2S)-2-aminobut-3-ynoic acid
- 73537-09-4
- FR 900130
Molecular Weight
99.09 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-08-09
- Modify:2025-01-11
Chemical Structure Depiction
SVG Image
IUPAC Condensed
H-Gly(ethynyl)(ethynyl)-OH
Sequence
X
HELM
PEPTIDE1{[C#C[C@@H](C(=O)O)N]}$$$$
(2S)-2-aminobut-3-ynoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C4H5NO2/c1-2-3(5)4(6)7/h1,3H,5H2,(H,6,7)/t3-/m0/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
DSUAJFIEKRKPEE-VKHMYHEASA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C#C[C@@H](C(=O)O)N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C4H5NO2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
73537-09-4
- FR 900130
- FR-900130
- L-2-amino-3-butynoic acid
- L-2-amino-3-butynoic acid
- Antibiotic FR 900130
- (2S)-2-aminobut-3-ynoic acid
- 73537-09-4
- FR 900130
- 3-Butynoic acid, 2-amino-, (S)-
- (2S)-2-Amino-3-butynoic acid
- DTXSID60223738
- (S)-2-Amino-3-butynoic acid
- (S)-2-Aminobut-3-ynoic acid
- DTXCID90146229
- DB04217
- NS00069942
- Q27095043
- 2-AMINO-BUT-3-YNOIC ACID; 2-amino-3-butynoic acid
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
99.09 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
-3.1
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
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
99.032028402 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
99.032028402 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
121
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
1
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
0
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)
Pharmaceuticals -> Listed in ZINC15
S55 | ZINC15PHARMA | Pharmaceuticals from ZINC15 | DOI:10.5281/zenodo.3247749
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 Parent, Connectivity 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=DSUAJFIEKRKPEE-VKHMYHEASA-N
PDBe Ligand Code
PDBe Conformer
- ChemIDplusL-2-amino-3-butynoic acidhttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0073537094ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DrugBankLICENSECreative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode)https://www.drugbank.ca/legal/terms_of_useL-2-amino-3-butynoic acidhttps://www.drugbank.ca/drugs/DB04217
- EPA DSSToxL-2-amino-3-butynoic acidhttps://comptox.epa.gov/dashboard/DTXSID60223738CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- Metabolomics WorkbenchL-2-amino-3-butynoic acidhttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=148685
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/L-2-amino-3-butynoic acidNORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- Protein Data Bank in Europe (PDBe)
- RCSB Protein Data Bank (RCSB PDB)LICENSEData files contained in the PDB archive (ftp://ftp.wwpdb.org) are free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use. Users of the data should attribute the original authors of that structural data.https://www.rcsb.org/pages/policies
- Springer Nature
- WikidataL-2-amino-3-butynoic acidhttps://www.wikidata.org/wiki/Q27095043
- 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.htmlL-2-amino-3-butynoic acidhttps://www.ncbi.nlm.nih.gov/mesh/67025509
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388881949https://pubchem.ncbi.nlm.nih.gov/substance/388881949
CONTENTS