(1S,2S)-1-amino-2-ethylcyclopropanecarboxylic acid
PubChem CID
10942445
Structure
Molecular Formula
Synonyms
- Coronamic acid
- (1S,2S)-1-amino-2-ethylcyclopropanecarboxylic acid
- 63393-56-6
- (1S,2S)-1-amino-2-ethylcyclopropane-1-carboxylic acid
- (+)-(1S,2S)-coronamic acid
Molecular Weight
129.16 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2006-10-26
- Modify:2025-01-25
Description
(1S,2S)-1-amino-2-ethylcyclopropanecarboxylic acid is a 1-amino-2-ethylcyclopropanecarboxylic acid.
(1S,2S)-1-amino-2-ethylcyclopropanecarboxylate has been reported in Pseudomonas syringae with data available.
Chemical Structure Depiction
(1S,2S)-1-amino-2-ethylcyclopropane-1-carboxylic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C6H11NO2/c1-2-4-3-6(4,7)5(8)9/h4H,2-3,7H2,1H3,(H,8,9)/t4-,6-/m0/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
RLHIWMRQDUCBDO-NJGYIYPDSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC[C@H]1C[C@]1(C(=O)O)N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C6H11NO2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 1-AEC
- 1-amino-2-ethylcyclopropane-1-carboxylic acid
- 1-amino-2-ethylcyclopropane-1-carboxylic acid, (1R-cis)-isomer
- 1-amino-2-ethylcyclopropane-1-carboxylic acid, (1R-trans)-isomer
- 1-amino-2-ethylcyclopropane-1-carboxylic acid, (1S-cis)-isomer
- 1-amino-2-ethylcyclopropane-1-carboxylic acid, (1S-trans)-isomer
- 1-amino-2-ethylcyclopropane-1-carboxylic acid, (cis)-(+-)-isomer
- 1-amino-2-ethylcyclopropane-1-carboxylic acid, (trans)-(+-)-isomer
- 1-amino-2-ethylcyclopropane-1-carboxylic acid, (trans)-isomer
- 1-amino-2-ethylcyclopropane-1-carboxylic acid, 2H-labeled
- coronamic acid
- Coronamic acid
- (1S,2S)-1-amino-2-ethylcyclopropanecarboxylic acid
- 63393-56-6
- (1S,2S)-1-amino-2-ethylcyclopropane-1-carboxylic acid
- (+)-(1S,2S)-coronamic acid
- 1-AEC
- CHEBI:18513
- RLHIWMRQDUCBDO-NJGYIYPDSA-N
- DTXSID701228614
- AKOS006337808
- (1S,2S) 1-amino-2-ethylcyclopropyl carboxylic acid
- (1S,2S)-1-amino-2-ethylcyclopropanecarboxylicacid
- (1S, 2S) 1-amino-2-ethylcyclopropyl carboxylic acid
- Q27109037
- Cyclopropanecarboxylic acid,1-amino-2-ethyl-,(1S,2S)-(9ci)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
129.16 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
-2.3
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
129.078978594 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
129.078978594 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
9
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
146
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
2
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)
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=RLHIWMRQDUCBDO-NJGYIYPDSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/(1S,2S)-1-Amino-2-ethylcyclopropanecarboxylic acidhttps://commonchemistry.cas.org/detail?cas_rn=63393-56-6
- EPA DSSTox(1S,2S)-1-Amino-2-ethylcyclopropanecarboxylic acidhttps://comptox.epa.gov/dashboard/DTXSID701228614CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- ChEBI(1S,2S)-1-amino-2-ethylcyclopropanecarboxylic acidhttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:18513
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/(1S,2S)-1-amino-2-ethylcyclopropanecarboxylatehttps://www.wikidata.org/wiki/Q27109037LOTUS Treehttps://lotus.naturalproducts.net/
- Japan Chemical Substance Dictionary (Nikkaji)
- Metabolomics Workbench(1S,2S)-1-amino-2-ethylcyclopropanecarboxylic acidhttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53639
- Nature Chemical Biology
- Springer Nature
- Wikidata(1S,2S)-1-amino-2-ethylcyclopropanecarboxylic acidhttps://www.wikidata.org/wiki/Q27109037
- 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.html1-amino-2-ethylcyclopropane-1-carboxylic acidhttps://www.ncbi.nlm.nih.gov/mesh/67043950
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 395945726https://pubchem.ncbi.nlm.nih.gov/substance/395945726
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