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Norleucine
CAS: 327-57-1 | C6H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
327-57-1
Molecular Formula:
C6H13NO2
Molecular Weight:
131.175 g/mol
Names and Synonyms:
Norleucine
(2S)-2-Aminohexanoic acid
NSC 10378
L-2-Aminohexanoic acid
(S)-α-Aminohexanoic acid
(S)-Norleucine
(S)-2-Aminohexanoic acid
L-(+)-Norleucine
Norleucine
2-Aminocaproic acid
Hexanoic acid, 2-amino-, (S)-
Glycoleucine
Caprine
α-Aminocaproic acid
Norleucine, L-
NSC 74430
L-Norleucine
Identifiers:
SMILES:
CCCC[C@H](N)C(=O)O
InChI:
InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 131.175 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 131.094628656 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.5884999999999998 | RDKit |
| molecular_mass | 131.18 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Norleucine None | Legacy Database |
| cas-canonical-smile | O=C(O)C(N)CCCC None | Legacy Database |
| cas-inchi | InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=LRQKBLKVPFOOQJ-YFKPBYRVSA-N None | Legacy Database |
| cas-melting-point | 298.5 °C None | Legacy Database |
| cas-name | Caprine None | Legacy Database |
| wikipedia-name | Norleucine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.13619999999998 | RDKit |
