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Molecule
Leucylglycine
CAS: 615-82-7 · C8H16N2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 615-82-7
- Molecular Formula
- C8H16N2O3
- Molecular Mass
- 188.23 g/mol
Identifiers
CAS Registry Number
615-82-7
SMILES
CC(C)CC(N)C(O)=NCC(=O)O
InChI Key
LESXFEZIFXFIQR-UHFFFAOYSA-N
InChI
InChI=1S/C8H16N2O3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)
Names and Synonyms
- Leucylglycine Common Name
- Glycine, leucyl- Synonym
- Glycine, N-DL-leucyl- Synonym
- Glycine, N-leucyl- Synonym
- Leucylglycine Synonym
- DL-Leucylglycine Synonym
- DL-Leucylglycine Synonym
- 2-(2-Amino-4-methylpentanamido)acetic acid 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)CNC(=O)C(N)CC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H16N2O3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=LESXFEZIFXFIQR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Leucylglycine | 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 | 0.4009 | RDKit |
| Molar Refractivity | 49.99700000000002 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
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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.
