A1CAB
(2S)-3,4-dihydro-2H-pyrrole-2-carboxylic acid
Created: | 2025-04-21 |
Last modified: | 2025-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 15 |
Chiral Atom Count | 1 |
Bond Count | 15 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (2S)-3,4-dihydro-2H-pyrrole-2-carboxylic acid |
Systematic Name (OpenEye OEToolkits) | (2~{S})-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid |
Formula | C5 H7 N O2 |
Molecular Weight | 113.115 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 14.52 | O=C(O)C1CCC=N1 |
SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCC=N1 |
SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CC(N=C1)C(=O)O |
Canonical SMILES | CACTVS | 3.385 | OC(=O)[C@@H]1CCC=N1 |
Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | C1C[C@H](N=C1)C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/t4-/m0/s1 |
InChIKey | InChI | 1.06 | DWAKNKKXGALPNW-BYPYZUCNSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 440162 |
ChEBI | CHEBI:371 |