1-(2-amino-2-oxoethyl)imidazole-2-carboxylic acid

C6H7N3O3 — CID 130682135

IUPAC1-(2-amino-2-oxoethyl)imidazole-2-carboxylic acid
SMILESNC(=O)Cn1ccnc1C(=O)O
InChIInChI=1S/C6H7N3O3/c7-4(10)3-9-2-1-8-5(9)6(11)12/h1-2H,3H2,(H2,7,10)(H,11,12)
InChIKeyJPFFMPGXELZCGY-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.93
Rot. Bonds3

About 1-(2-amino-2-oxoethyl)imidazole-2-carboxylic acid

1-(2-amino-2-oxoethyl)imidazole-2-carboxylic acid (PubChem CID 130682135) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)imidazole-2-carboxylic acid
PubChem CID130682135
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name1-(2-amino-2-oxoethyl)imidazole-2-carboxylic acid
SMILESNC(=O)Cn1ccnc1C(=O)O
InChIInChI=1S/C6H7N3O3/c7-4(10)3-9-2-1-8-5(9)6(11)12/h1-2H,3H2,(H2,7,10)(H,11,12)
InChIKeyJPFFMPGXELZCGY-UHFFFAOYSA-N
XLogP-0.93
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)imidazole-2-carboxylic acid?
The IUPAC name of 1-(2-amino-2-oxoethyl)imidazole-2-carboxylic acid (CID 130682135) is 1-(2-amino-2-oxoethyl)imidazole-2-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)imidazole-2-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-oxoethyl)imidazole-2-carboxylic acid is NC(=O)Cn1ccnc1C(=O)O.
What is the InChIKey of 1-(2-amino-2-oxoethyl)imidazole-2-carboxylic acid?
The InChIKey is JPFFMPGXELZCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c7-4(10)3-9-2-1-8-5(9)6(11)12/h1-2H,3H2,(H2,7,10)(H,11,12).
What are the key properties of 1-(2-amino-2-oxoethyl)imidazole-2-carboxylic acid?
1-(2-amino-2-oxoethyl)imidazole-2-carboxylic acid has a molecular weight of 169.14 g/mol, XLogP of -0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)imidazole-2-carboxylic acid is sourced from PubChem (CID 130682135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).