5-(2-aminoethyl)-1H-imidazole-2-carboxylic acid

C6H9N3O2 — CID 557493

IUPAC5-(2-aminoethyl)-1H-imidazole-2-carboxylic acid
SMILESNCCc1cnc(C(=O)O)[nH]1
InChIInChI=1S/C6H9N3O2/c7-2-1-4-3-8-5(9-4)6(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)
InChIKeyZGLGKGRLZFHFQU-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.39
Rot. Bonds3

About 5-(2-aminoethyl)-1H-imidazole-2-carboxylic acid

5-(2-aminoethyl)-1H-imidazole-2-carboxylic acid (PubChem CID 557493) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-aminoethyl)-1H-imidazole-2-carboxylic acid
PubChem CID557493
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name5-(2-aminoethyl)-1H-imidazole-2-carboxylic acid
SMILESNCCc1cnc(C(=O)O)[nH]1
InChIInChI=1S/C6H9N3O2/c7-2-1-4-3-8-5(9-4)6(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)
InChIKeyZGLGKGRLZFHFQU-UHFFFAOYSA-N
XLogP-0.39
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(2-aminoethyl)-1H-imidazole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1H-imidazole-2-carboxylic acid?
The IUPAC name of 5-(2-aminoethyl)-1H-imidazole-2-carboxylic acid (CID 557493) is 5-(2-aminoethyl)-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 5-(2-aminoethyl)-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 5-(2-aminoethyl)-1H-imidazole-2-carboxylic acid is NCCc1cnc(C(=O)O)[nH]1.
What is the InChIKey of 5-(2-aminoethyl)-1H-imidazole-2-carboxylic acid?
The InChIKey is ZGLGKGRLZFHFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-2-1-4-3-8-5(9-4)6(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11).
What are the key properties of 5-(2-aminoethyl)-1H-imidazole-2-carboxylic acid?
5-(2-aminoethyl)-1H-imidazole-2-carboxylic acid has a molecular weight of 155.16 g/mol, XLogP of -0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 557493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).