I2V
Summary
| Name: | (1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid |
| Formula: | C7 H12 F N O2 |
| Formal charge: | 0 |
| Formula weight: | 161.174 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (1~{S},3~{S},4~{S})-3-azanyl-4-(fluoranylmethyl)cyclopentane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FCC1CC(CC1N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H12FNO2/c8-3-5-1-4(7(10)11)2-6(5)9/h4-6H,1-3,9H2,(H,10,11)/t4-,5+,6-/m0/s1 |
| InChIKey | InChI | 1.03 | ZROKQRHEXPQFAI-JKUQZMGJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1C[C@H](C[C@@H]1CF)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH]1C[CH](C[CH]1CF)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H](C[C@@H]([C@H]1CF)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(CC(C1CF)N)C(=O)O |
