2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid

C7H9N3O3 — CID 131137829

IUPAC2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid
SMILESCCn1ccnc1NC(=O)C(=O)O
InChIInChI=1S/C7H9N3O3/c1-2-10-4-3-8-7(10)9-5(11)6(12)13/h3-4H,2H2,1H3,(H,12,13)(H,8,9,11)
InChIKeyDDLUWSKRLYWRTJ-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.07
Rot. Bonds2

About 2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid

2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid (PubChem CID 131137829) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid
PubChem CID131137829
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid
SMILESCCn1ccnc1NC(=O)C(=O)O
InChIInChI=1S/C7H9N3O3/c1-2-10-4-3-8-7(10)9-5(11)6(12)13/h3-4H,2H2,1H3,(H,12,13)(H,8,9,11)
InChIKeyDDLUWSKRLYWRTJ-UHFFFAOYSA-N
XLogP-0.07
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(1-ethylimidazol-2-yl)butanamide
CID 131165493
3-[(1-ethylimidazol-2-yl)amino]-3-methylbutanoic acid
CID 64701562
N-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide
CID 126793994
N-(1-ethylimidazol-2-yl)azetidine-2-carboxamide
CID 130964367
3-[(1-ethylimidazol-2-yl)amino]butanoic acid
CID 62138209
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide
CID 62139157
1-[(1-ethylimidazol-2-yl)amino]cycloheptane-1-carboxylic acid
CID 62137475
5-[(1-ethylimidazol-2-yl)amino]-4-methylpentanoic acid
CID 82017050
3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106278377
4-[(1-ethylimidazol-2-yl)amino]-3-methoxybutanoic acid
CID 103153802
2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid
CID 62478814

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid (CID 131137829) is 2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid is CCn1ccnc1NC(=O)C(=O)O.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid?
The InChIKey is DDLUWSKRLYWRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-2-10-4-3-8-7(10)9-5(11)6(12)13/h3-4H,2H2,1H3,(H,12,13)(H,8,9,11).
What are the key properties of 2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid?
2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid has a molecular weight of 183.17 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid is sourced from PubChem (CID 131137829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).