2,3-Diaminobutanoic acid
PubChem CID: 5316628
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| Compound Synonyms | 2,3-diaminobutanoic acid, 2643-66-5, 2,3-Diaminobutyric acid, Butanoic acid, 2,3-diamino-, alpha,beta-diaminobutyric acid, UNII-C314XQL574, DTXSID90415705, C314XQL574, .ALPHA.,.BETA.-DIAMINOBUTYRIC ACID, 2,3-Diaminobutanoate, 2,3-diaminobutanoicacid, SCHEMBL43875, DTXCID20366554, CHEBI:228968, AKOS006283696 |
|---|---|
| Topological Polar Surface Area | 89.3 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 94.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-diaminobutanoic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -3.2 |
| Is Pains | False |
| Molecular Formula | C4H10N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SXGMVGOVILIERA-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 2,3-Diaminobutanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 118.074 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 118.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 118.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.5755568000000002 |
| Inchi | InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8) |
| Smiles | CC(C(C(=O)O)N)N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polygonatum Cyrtonema (Plant) Rel Props:Source_db:cmaup_ingredients