YOP
Summary
| Name: | 3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(5H)-one |
| Formula: | C8 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 168.193 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(1H)-one |
| OpenEye OEToolkits | 2.0.7 | 3-[(2~{S})-2-azanyl-3-oxidanyl-propyl]-1~{H}-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC=CC=C1CC(N)CO |
| InChI | InChI | 1.03 | InChI=1S/C8H12N2O2/c9-7(5-11)4-6-2-1-3-10-8(6)12/h1-3,7,11H,4-5,9H2,(H,10,12)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | QZSOIZRKOUQRHW-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](CO)CC1=CC=CNC1=O |
| SMILES | CACTVS | 3.385 | N[CH](CO)CC1=CC=CNC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=CNC(=O)C(=C1)C[C@@H](CO)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=CNC(=O)C(=C1)CC(CO)N |
