A1AQP
Summary
| Name: | O-{[(3S)-pyrrolidin-3-yl]methyl}hydroxylamine |
| Formula: | C5 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 116.162 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | O-{[(3S)-pyrrolidin-3-yl]methyl}hydroxylamine |
| OpenEye OEToolkits | 2.0.7 | ~{O}-[[(3~{S})-pyrrolidin-3-yl]methyl]hydroxylamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NOCC1CCNC1 |
| InChI | InChI | 1.06 | InChI=1S/C5H12N2O/c6-8-4-5-1-2-7-3-5/h5,7H,1-4,6H2/t5-/m0/s1 |
| InChIKey | InChI | 1.06 | ZTLUVRQAZGGKNA-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NOC[C@H]1CCNC1 |
| SMILES | CACTVS | 3.385 | NOC[CH]1CCNC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CNC[C@H]1CON |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CNCC1CON |
