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Molecule
Glycyl-L-Glutamic Acid
CAS: 7412-78-4 · C7H12N2O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7412-78-4
- Molecular Formula
- C7H12N2O5
- Molecular Mass
- 204.18 g/mol
Identifiers
CAS Registry Number
7412-78-4
SMILES
NCC(O)=N[C@@H](CCC(=O)O)C(=O)O
InChI Key
IEFJWDNGDZAYNZ-BYPYZUCNSA-N
InChI
InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1
Names and Synonyms
- Glycyl-L-Glutamic Acid Synonym
- L-Glutamic acid, glycyl- Synonym
- Glutamic acid, N-glycyl-, L- Synonym
- L-Glutamic acid, N-glycyl- Synonym
- Glycyl-L-glutamic acid Synonym
- Glycylglutamic acid Synonym
- NSC 203441 Synonym
- 437: PN: WO2005081628 SEQID: 1546 claimed protein Synonym
- 534: PN: WO2006090389 SEQID: 550 unclaimed protein Synonym
- 44: PN: EP2161028 PAGE: 10 claimed protein Synonym
- L-Selectin (human clone MMPLNHR_P2 fragment) Synonym
- 70: PN: US20100075891 SEQID: 70 claimed protein Synonym
- 63: PN: WO2014063098 TABLE: 5 claimed sequence Synonym
- 15: PN: WO2011146121 PAGE: 113 claimed sequence Synonym
- 112: PN: WO2012050923 SEQID: 139 unclaimed protein Synonym
- DNA (human amyloid Aβ(1-42)-specifying) Synonym
- 170: PN: US20130123467 SEQID: 209 claimed protein Synonym
- 78: PN: WO2014170713 SEQID: 184 claimed protein Synonym
- (2S)-2-(2-Aminoacetamido)pentanedioic acid Synonym
- (2S)-2-[(2-Aminoacetyl)amino]pentanedioic acid Synonym
- 9: PN: KR20200105339 PAGE: 3 claimed sequence Synonym
- 14: PN: WO2021055880 SEQID: 15 claimed protein Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.18 g/mol | CAS Common Chemistry |
| 204.182 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCC(NC(=O)CN)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IEFJWDNGDZAYNZ-BYPYZUCNSA-N | CAS Common Chemistry |
| Melting Point | 160 °C @ Solvent: Water, Ethanol | CAS Common Chemistry |
| Name | Glycyl-L-glutamic acid | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 133.21 Ų | RDKit |
| LogP | -0.7804000000000004 | RDKit |
| -0.7804 | RDKit | |
| Molar Refractivity | 47.41180000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 204.074621484 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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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.
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MW = 204.18 g/mol. Edit any field — others recompute live.
