C5A
Summary
Name: | (1S,3S)-1-aminocyclopentane-1,3-dicarboxylic acid |
Synonyms: | 1S,3S-ACPD |
Formula: | C7 H11 N O4 |
Formal charge: | 0 |
Formula weight: | 173.167 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (1S,3S)-1-aminocyclopentane-1,3-dicarboxylic acid |
OpenEye OEToolkits | 1.5.0 | (1S,3S)-1-aminocyclopentane-1,3-dicarboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C1(N)CC(C(=O)O)CC1 |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@]1(CC[C@@H](C1)C(O)=O)C(O)=O |
SMILES | CACTVS | 3.341 | N[C]1(CC[CH](C1)C(O)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C[C@](C[C@H]1C(=O)O)(C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | C1CC(CC1C(=O)O)(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7-/m0/s1 |
InChIKey | InChI | 1.03 | YFYNOWXBIBKGHB-FFWSUHOLSA-N |