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Norvaline
CAS: 6600-40-4 | C5H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6600-40-4
Molecular Formula:
C5H11NO2
Molecular Mass:
117.15 g/mol
Names and Synonyms:
Norvaline
L-Norvaline
Norvaline, L-
Norvaline
Pentanoic acid, 2-amino-, (S)-
α-L-Aminopentanoic acid
(S)-2-Aminovaleric acid
(S)-Norvaline
L-α-Aminovaleric acid
(S)-2-Aminopentanoic acid
L-2-Aminopentanoic acid
2S-Aminovaleric acid
NSC 203786
(S)-(+)-2-Aminopentanoic acid
(2S)-2-Aminopentanoic acid
Identifiers:
SMILES:
CCC[C@H](N)C(=O)O
InChI:
InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
Key Properties
Melting Point
307 °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 | 117.15 g/mol | CAS Common Chemistry |
| 117.14799999999998 g/mol | RDKit | |
| 117.078978592 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Norvaline | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(N)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SNDPXSYFESPGGJ-BYPYZUCNSA-N | CAS Common Chemistry |
| Melting Point | 307 °C | CAS Common Chemistry |
| Name | L-Norvaline | CAS Common Chemistry |
| Norvaline | CAS Common Chemistry | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| LogP | 0.19839999999999997 | RDKit |
| Molar Refractivity | 30.51919999999999 | RDKit |
