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Molecule
Glycyl-L-Aspartic Acid
CAS: 4685-12-5 · C6H10N2O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4685-12-5
- Molecular Formula
- C6H10N2O5
- Molecular Mass
- 190.16 g/mol
Identifiers
CAS Registry Number
4685-12-5
SMILES
NCC(O)=N[C@@H](CC(=O)O)C(=O)O
InChI Key
SCCPDJAQCXWPTF-VKHMYHEASA-N
InChI
InChI=1S/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1
Names and Synonyms
- Glycyl-L-Aspartic Acid Common Name
- L-Aspartic acid, glycyl- Synonym
- Aspartic acid, N-glycyl-, L- Synonym
- L-Aspartic acid, N-glycyl- Synonym
- Glycyl-L-aspartic acid Synonym
- N-Glycylaspartic acid Synonym
- Glycylaspartic acid Synonym
- N-Glycyl-L-aspartic acid Synonym
- 43: PN: EP2161028 PAGE: 10 claimed protein Synonym
- 61: PN: WO2011146121 PAGE: 115 claimed sequence Synonym
- 116: PN: WO2012050923 SEQID: 143 unclaimed protein Synonym
- (S)-2-(2-Aminoacetamido)succinic acid Synonym
- (2S)-2-[(2-Aminoacetyl)amino]butanedioic acid Synonym
- 6: PN: WO2020046069 SEQID: 7 claimed protein Synonym
- 4: PN: KR20200025906 SEQID: 4 claimed sequence Synonym
- 13: PN: WO2021055880 SEQID: 14 claimed protein Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Name | Glycyl-L-aspartic acid | CAS Common Chemistry |
| Molecular Mass | 190.16 g/mol | CAS Common Chemistry |
| 190.155 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CC(NC(=O)CN)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SCCPDJAQCXWPTF-VKHMYHEASA-N | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 133.21 Ų | RDKit |
| LogP | -1.1704999999999992 | RDKit |
| -1.1705 | RDKit | |
| Molar Refractivity | 42.79480000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 190.05897142 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
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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 = 190.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H10N2O5.
