(2S)-2-aminopentanamide
PubChem CID: 447593
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| Compound Synonyms | (2S)-2-aminopentanamide, 7324-06-3, L-norvalinamide, Norvalinamid, SCHEMBL2266247, CHEMBL4538528, UZRUKLJLGXLGDM-BYPYZUCNSA-N, AKOS006337414, EN300-206211 |
|---|---|
| Topological Polar Surface Area | 69.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 82.5 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-aminopentanamide |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -0.5 |
| Is Pains | False |
| Molecular Formula | C5H12N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | UZRUKLJLGXLGDM-BYPYZUCNSA-N |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 3.0 |
| Compound Name | (2S)-2-aminopentanamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 116.095 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 116.095 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 116.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5260168000000001 |
| Inchi | InChI=1S/C5H12N2O/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H2,7,8)/t4-/m0/s1 |
| Smiles | CCC[C@@H](C(=O)N)N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juncus Effusus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Malus Pumila (Plant) Rel Props:Source_db:cmaup_ingredients