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Glycyl-L-Leucine
CAS: 869-19-2 | C8H16N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
869-19-2
Molecular Formula:
C8H16N2O3
Molecular Mass:
188.23 g/mol
Names and Synonyms:
Glycyl-L-Leucine
L-Leucine, glycyl-
Leucine, N-glycyl-, L-
L-Leucine, N-glycyl-
Glycyl-L-leucine
Glycylleucine
N-Glycyl-L-leucine
NSC 83257
98: PN: EP2161028 PAGE: 10 claimed protein
20: PN: WO2014063098 TABLE: 5 claimed protein
117: PN: US20130123467 SEQID: 141 claimed protein
17: PN: KR20140043582 SEQID: 20 claimed protein
4: PN: WO2014170713 SEQID: 104 claimed protein
(2S)-2-[(2-Aminoacetyl)amino]-4-methylpentanoic acid
(2S)-2-(2-Aminoacetamido)-4-methylpentanoic acid
Identifiers:
SMILES:
CC(C)C[C@H](N=C(O)CN)C(=O)O
InChI:
InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1
Key Properties
Melting Point
242 °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 | 188.23 g/mol | CAS Common Chemistry |
| 188.22699999999998 g/mol | RDKit | |
| 188.116092372 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(NC(=O)CN)CC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DKEXFJVMVGETOO-LURJTMIESA-N | CAS Common Chemistry |
| Melting Point | 242 °C (decomp) | CAS Common Chemistry |
| Name | Glycyl-L-leucine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 95.91000000000001 Ų | RDKit |
| LogP | 0.4009000000000001 | RDKit |
| Molar Refractivity | 49.997000000000014 | RDKit |
