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Carbamylglutamic Acid
CAS: 1188-38-1 | C6H10N2O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1188-38-1
Molecular Formula:
C6H10N2O5
Molecular Mass:
190.16 g/mol
Names and Synonyms:
Carbamylglutamic Acid
L-Glutamic acid, N-(aminocarbonyl)-
Glutamic acid, N-carbamoyl-, L-
N-(Aminocarbonyl)-L-glutamic acid
Ureidoglutaric acid
N-Carbamoyl-S-glutamic acid
Carbamylglutamic acid
Carbamino-L-glutamic acid
N-Carbamyl-L-glutamic acid
N-Carbamoyl-L-glutamic acid
Carglumic acid
Carbaglu
OE 312
(S)-2-Ureidopentanedioic acid
(2S)-2-(Carbamoylamino)pentanedioic acid
Ucedane
Identifiers:
SMILES:
N=C(O)N[C@@H](CCC(=O)O)C(=O)O
InChI:
InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1
Key Properties
Melting Point
157-159 °C
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 | 190.16 g/mol | CAS Common Chemistry |
| 190.155 g/mol | RDKit | |
| 190.05897142 g/mol | RDKit | |
| Canonical SMILES | O=C(N)NC(C(=O)O)CCC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=LCQLHJZYVOQKHU-VKHMYHEASA-N | CAS Common Chemistry |
| Melting Point | 157-159 °C | CAS Common Chemistry |
| Name | Carbamylglutamic acid | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 130.71 Ų | RDKit |
| LogP | -0.6132300000000004 | RDKit |
| Molar Refractivity | 41.784800000000004 | RDKit |
