Showing Metabocard for L-2,4-diaminobutanoate (BASm0003690)
| Common Name | L-2,4-diaminobutanoate |
|---|---|
| Description | L-3-Amino-isobutanoic acid is a component of branched-chain amino acid biosynthesis and metabolism. It can also be used in pyrimidine metabolism. L-3-Amino-isobutanoic acid is produced from S-methylmalonate semialdehyde by the enzyme 4-aminobutyrate aminotransferase. |
| Structure | |
| Molecular Formula | C4H10N2O2 |
| Average Mass | 118.13440 |
| Monoisotopic Mass | 118.07423 |
| IUPAC Name | (2S)-2,4-diaminobutanoic acid |
| Traditional Name | 2,4-diaminobutyric acid |
| CAS Registry Number | 1758-80-1 |
| SMILES | [NH3+]CC[C@H]([NH3+])C(=O)[O-] |
| InChI Identifier | InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1 |
| InChI Key | OGNSCSPNOLGXSM-VKHMYHEASA-N |
| CHEBI ID | CHEBI:58761 |
| HMDB ID | HMDB0006284 |
| State | Solid |
| Water Solubility | 2.70e+02 g/l |
| logP | -3.66 |
| logS | 0.36 |
| pKa (Strongest Acidic) | 2.55 |
| pKa (Strongest Basic) | 10.25 |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 89.34 Ų |
| Rotatable Bond Count | 3 |
| Physiological Charge | 1 |
| Formal Charge | 0 |
| Refractivity | 28.56 m³·mol⁻¹ |
| Polarizability | 11.89 |