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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 Mass:
131.18 g/mol
Names and Synonyms:
Norleucine
L-Norleucine
NSC 74430
Norleucine, L-
α-Aminocaproic acid
Caprine
Glycoleucine
Hexanoic acid, 2-amino-, (S)-
2-Aminocaproic acid
Norleucine
L-(+)-Norleucine
(S)-2-Aminohexanoic acid
(S)-Norleucine
(S)-α-Aminohexanoic acid
L-2-Aminohexanoic acid
NSC 10378
(2S)-2-Aminohexanoic acid
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
Key Properties
Melting Point
298.5 °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 | 131.18 g/mol | CAS Common Chemistry |
| 131.175 g/mol | RDKit | |
| 131.094628656 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Norleucine | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(N)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=LRQKBLKVPFOOQJ-YFKPBYRVSA-N | CAS Common Chemistry |
| Melting Point | 298.5 °C | CAS Common Chemistry |
| Name | Caprine | CAS Common Chemistry |
| Norleucine | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| LogP | 0.5884999999999998 | RDKit |
| Molar Refractivity | 35.13619999999998 | RDKit |
