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(-)-3-Aminobutyric Acid
CAS: 3775-73-3 | C4H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3775-73-3
Molecular Formula:
C4H9NO2
Molecular Mass:
103.12 g/mol
Names and Synonyms:
(-)-3-Aminobutyric Acid
Butanoic acid, 3-amino-, (3R)-
Butyric acid, 3-amino-, D-
Butanoic acid, 3-amino-, (R)-
(3R)-3-Aminobutanoic acid
D-β-Aminobutyric acid
(R)-3-Aminobutanoic acid
D-3-Aminobutyric acid
(R)-β-Aminobutanoic acid
(R)-(-)-3-Aminobutyric acid
D-3-Aminobutanoic acid
(R)-3-Aminobutyric acid
(-)-3-Aminobutanoic acid
(-)-3-Aminobutyric acid
3(R)-Methyl-β-alanine
(R)-3-Aminobutanoic acid
(3R)-3-Azaniumylbutanoate
Identifiers:
SMILES:
C[C@@H](N)CC(=O)O
InChI:
InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
Key Properties
Melting Point
215-216 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 103.12 g/mol | CAS Common Chemistry |
| 103.12099999999998 g/mol | RDKit | |
| 103.063328528 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CC(N)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OQEBBZSWEGYTPG-GSVOUGTGSA-N | CAS Common Chemistry |
| Melting Point | 215-216 °C | CAS Common Chemistry |
| Name | (-)-3-Aminobutyric acid | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| LogP | -0.19170000000000004 | RDKit |
| Molar Refractivity | 25.902199999999997 | RDKit |
