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Molecule
Glycylleucine
CAS: 688-14-2 · C8H16N2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 688-14-2
- Molecular Formula
- C8H16N2O3
- Molecular Mass
- 188.23 g/mol
Identifiers
CAS Registry Number
688-14-2
SMILES
CC(C)CC(N=C(O)CN)C(=O)O
InChI Key
DKEXFJVMVGETOO-UHFFFAOYSA-N
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)
Names and Synonyms
- Glycylleucine Common Name
- Leucine, glycyl- Synonym
- Leucine, N-glycyl-, DL- Synonym
- DL-Leucine, N-glycyl- Synonym
- Glycylleucine Synonym
- Glycyl-DL-leucine Synonym
- Glycyl-(RS)-leucine Synonym
- Glycyl-D,L-leucine Synonym
- 2-(2-Amino-acetylamino)-4-methyl-pentanoic acid Synonym
- 2-(2-Aminoacetamido)-4-methylpentanoic acid Synonym
- 2-[(2-Azaniumylacetyl)amino]-4-methylpentanoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.23 g/mol | CAS Common Chemistry |
| 188.22699999999998 g/mol | RDKit | |
| 188.227 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) | CAS Common Chemistry |
| InChI Key | InChIKey=DKEXFJVMVGETOO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 242 °C (decomp) | CAS Common Chemistry |
| Name | Glycylleucine | 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 |
| 95.91 Ų | RDKit | |
| LogP | 0.4009000000000001 | RDKit |
| 0.4009 | RDKit | |
| Molar Refractivity | 49.997000000000014 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 188.116092372 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 188.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H16N2O3.
