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D-Α-Aminobutyric Acid
CAS: 2623-91-8 | C4H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2623-91-8
Molecular Formula:
C4H9NO2
Molecular Mass:
103.12 g/mol
Names and Synonyms:
D-Α-Aminobutyric Acid
Butanoic acid, 2-amino-, (2R)-
Butyric acid, 2-amino-, D-
Butanoic acid, 2-amino-, (R)-
(2R)-2-Aminobutanoic acid
D-α-Aminobutyric acid
D-α-Amino-n-butyric acid
D-Butyrine
D-2-Aminobutyric acid
(R)-(-)-α-Aminobutyric acid
D-2-Amino-n-butyric acid
(R)-2-Aminobutyric acid
D-Ethylglycine
D-2-Aminobutanoic acid
(-)-2-Aminobutyric acid
(R)-α-Aminobutyric acid
(-)-α-Aminobutyric acid
(R)-2-Aminobutanoic acid
(-)-2-Aminobutanoic acid
(2R)-2-Aminobutyric acid
(R)-2-Aminobutyric acid
Identifiers:
SMILES:
CC[C@@H](N)C(=O)O
InChI:
InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
Key Properties
Melting Point
288-290 °C (decomp)
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)C(N)CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QWCKQJZIFLGMSD-GSVOUGTGSA-N | CAS Common Chemistry |
| Melting Point | 288-290 °C (decomp) | CAS Common Chemistry |
| Name | D-α-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 | -0.19169999999999998 | RDKit |
| Molar Refractivity | 25.902199999999997 | RDKit |
