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Molecule
4-Amino-3-Hydroxybutanoic Acid
CAS: 352-21-6 · C4H9NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 352-21-6
- Molecular Formula
- C4H9NO3
- Molecular Mass
- 119.12 g/mol
Identifiers
CAS Registry Number
352-21-6
SMILES
NCC(O)CC(=O)O
InChI Key
YQGDEPYYFWUPGO-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)
Names and Synonyms
- 4-Amino-3-Hydroxybutanoic Acid Synonym
- Butanoic acid, 4-amino-3-hydroxy- Synonym
- Butyric acid, 4-amino-3-hydroxy-, DL- Synonym
- Butanoic acid, 4-amino-3-hydroxy-, (±)- Synonym
- Butyric acid, γ-amino-β-hydroxy- Synonym
- 4-Amino-3-hydroxybutanoic acid Synonym
- DL-β-Hydroxy-γ-aminobutyric acid Synonym
- DL-γ-Amino-β-hydroxybutyric acid Synonym
- DL-3-Hydroxy-4-aminobutyric acid Synonym
- (±)-3-Hydroxy-4-aminobutanoic acid Synonym
- DL-4-Amino-3-hydroxybutanoic acid Synonym
- (RS)-γ-Amino-β-hydroxybutyric acid Synonym
- (±)-4-Amino-3-hydroxybutanoic acid Synonym
- (RS)-3-Hydroxy-γ-aminobutyric acid Synonym
- DL-4-Amino-3-hydroxybutyric acid Synonym
- (±)-β-Hydroxy-GABA Synonym
- (RS)-4-Amino-3-hydroxybutanoic acid Synonym
- (±)-4-Amino-3-hydroxybutyric acid Synonym
- γ-Amino-β-hydroxybutyric acid Synonym
- 4-Amino-3-hydroxybutyric acid Synonym
- Buxamine Synonym
- GABOB Synonym
- Gamibetal Synonym
- Gaminal Synonym
- 3-Hydroxy-4-aminobutyric acid Synonym
- β-Hydroxy-γ-aminobutyric acid Synonym
- Buksamin Synonym
- Gabomade Synonym
- 3-Hydroxy-GABA Synonym
- Bogil Synonym
- Idramina Synonym
- Gabobe Synonym
- Gaboril Synonym
- β-Hydroxy-GABA Synonym
- 3-Hydroxy-4-aminobutanoic acid Synonym
- NSC 40244 Synonym
- gamma-Amino-beta-hydroxybutyric acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 119.12 g/mol | CAS Common Chemistry |
| 119.11999999999999 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CC(O)CN | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=YQGDEPYYFWUPGO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 214 °C | CAS Common Chemistry |
| Name | 4-Amino-3-hydroxybutanoic acid | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 83.55 Ų | RDKit |
| LogP | -1.2192999999999998 | RDKit |
| -1.2193 | RDKit | |
| Molar Refractivity | 27.313999999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 119.058243148 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 119.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H9NO3.
