L-2,4-Diaminobutyric acid dihydrochloride
PubChem CID: 2724265
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| Compound Synonyms | 1883-09-6, L-2,4-Diaminobutyric acid dihydrochloride, (S)-2,4-Diaminobutanoic acid dihydrochloride, (2S)-2,4-diaminobutanoic acid, dihydrochloride, H-Dab-OH.2HCl, (S)-(+)-2,4-Diamino-n-butyric Acid Dihydrochloride, Butanoic acid, 2,4-diamino-, hydrochloride (1:2), (2S)-, (S)-L-DABA (dihydrochloride), (2S)-2,4-diaminobutanoic acid dihydrochloride, L-2,4-Diaminobutyric acid DiHCl, L-2,4-Diaminobutyric Acid, Dihydrochloride, (2S)-2,4-Diamino-butanoic acid dihydrochloride, EINECS 217-542-0, (S)-(+)-2,4-Diaminobutyric acid dihydrochloride, Butanoic acid, 2,4-diamino-, dihydrochloride, (2S)-, SCHEMBL318746, DTXSID801046108, FD1067, AKOS016842288, AC-5662, CS-W010734, HY-W010018, AS-17639, (S)-2,4-Diaminobutanoicaciddihydrochloride, D0083, EN300-128487, L-2,4-Diaminobutyric acid dihydrochloride, >=95.0%, Z1741978716, 217-542-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 89.3 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Aminoacids |
| Deep Smiles | N[C@H]C=O)O))CCN.Cl.Cl |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 84.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2,4-diaminobutanoic acid, dihydrochloride |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H12Cl2N2O2 |
| Inchi Key | CKAAWCHIBBNLOJ-QTNFYWBSSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | l-alpha,gamma-diaminobutyric-acid |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, Cl |
| Compound Name | L-2,4-Diaminobutyric acid dihydrochloride |
| Exact Mass | 190.028 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.028 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 191.05 |
| Gi Absorption | True |
| Covalent Unit Count | 3.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H10N2O2.2ClH/c5-2-1-3(6)4(7)8, , /h3H,1-2,5-6H2,(H,7,8), 2*1H/t3-, , /m0../s1 |
| Smiles | C(CN)[C@@H](C(=O)O)N.Cl.Cl |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Polygonatum Multiflorum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279