(S)-3-Aminobutyric acid
PubChem CID: 2761506
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| Compound Synonyms | (S)-3-Aminobutanoic acid, 3775-72-2, (S)-3-AMINOBUTYRIC ACID, (3S)-3-aminobutanoic acid, L-3-aminobutyric acid, (S)-HOMO-BETA-ALANINE, MFCD00270347, DTXSID40375805, (S)-beta-homoalanine, L-BETA-HOMOALANINE, Butanoic acid, 3-amino-, (3S)-, (S)-3-Aminobutanoicacid, H--HoAla-OHHCl, (3S)-3-azaniumylbutanoate, SCHEMBL287881, DTXCID00326833, CHEBI:229980, OQEBBZSWEGYTPG-VKHMYHEASA-N, (S)-3-Aminobutyric acid, 97%, AKOS015995190, DS-12311, DB-027211, CS-0031371, EN300-60249, Q27458198, 4C922626-4E14-40D6-A23E-169F8ACA50F8 |
|---|---|
| Topological Polar Surface Area | 63.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 72.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-3-aminobutanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -3.1 |
| Molecular Formula | C4H9NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OQEBBZSWEGYTPG-VKHMYHEASA-N |
| Fcsp3 | 0.75 |
| Logs | 0.773 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.081 |
| Compound Name | (S)-3-Aminobutyric acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 103.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 103.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 103.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.5804498000000002 |
| Inchi | InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 |
| Smiles | C[C@@H](CC(=O)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Geranium Pratense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients