(1S,2S)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid

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Basic information

CAS: 147782-20-5
Standard SMILES: N[C@H](C(=O)O)C1[C@H](C(=O)O)[C@H]1C(=O)O
InChIKey: MATPZHBYOVDBLI-HZLVTQRSSA-N
Molecular formula: C7H9NO6
Average molar mass: 203.15 g/mol
Monoisotopic mass: 203.04298701

Names & identifiers

Preferred name: (1S,2S)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
IUPAC: trans-(1S,2S)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid

Names & synonyms

NCGC00024914-01Tocris-0975CHEMBL1555067DTXSID901133798(1S,2S)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid147782-20-51,2-Cyclopropanedicarboxylic acid, 3-(aminocarboxymethyl)-, [1S-[1I+/-,2I(2),3I+/-(R*)]]-

Database identifiers

CAS: 147782-20-5
PubChem CID: 6604786
DTXSID: DTXSID901133798
ChEMBL: CHEMBL1555067
Nikkaji: J1.038.506G

Properties

Computed structural properties

XLogP: -4.3
Topological polar surface area: 138 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 281

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Compound notes

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