2-hydroxy-2-(5-methyl-1H-imidazol-4-yl)acetic acid

C6H8N2O3 — CID 11095477

IUPAC2-hydroxy-2-(5-methyl-1H-imidazol-4-yl)acetic acid
SMILESCc1[nH]cnc1C(O)C(=O)O
InChIInChI=1S/C6H8N2O3/c1-3-4(8-2-7-3)5(9)6(10)11/h2,5,9H,1H3,(H,7,8)(H,10,11)
InChIKeyBVHOITSCLWMDAB-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.16
Rot. Bonds2

About 2-hydroxy-2-(5-methyl-1H-imidazol-4-yl)acetic acid

2-hydroxy-2-(5-methyl-1H-imidazol-4-yl)acetic acid (PubChem CID 11095477) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-hydroxy-2-(5-methyl-1H-imidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(5-methyl-1H-imidazol-4-yl)acetic acid
PubChem CID11095477
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name2-hydroxy-2-(5-methyl-1H-imidazol-4-yl)acetic acid
SMILESCc1[nH]cnc1C(O)C(=O)O
InChIInChI=1S/C6H8N2O3/c1-3-4(8-2-7-3)5(9)6(10)11/h2,5,9H,1H3,(H,7,8)(H,10,11)
InChIKeyBVHOITSCLWMDAB-UHFFFAOYSA-N
XLogP-0.16
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-2-(5-methyl-1H-imidazol-4-yl)acetic 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 2-hydroxy-2-(5-methyl-1H-imidazol-4-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(5-methyl-1H-imidazol-4-yl)acetic acid (CID 11095477) is 2-hydroxy-2-(5-methyl-1H-imidazol-4-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(5-methyl-1H-imidazol-4-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(5-methyl-1H-imidazol-4-yl)acetic acid is Cc1[nH]cnc1C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-(5-methyl-1H-imidazol-4-yl)acetic acid?
The InChIKey is BVHOITSCLWMDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-3-4(8-2-7-3)5(9)6(10)11/h2,5,9H,1H3,(H,7,8)(H,10,11).
What are the key properties of 2-hydroxy-2-(5-methyl-1H-imidazol-4-yl)acetic acid?
2-hydroxy-2-(5-methyl-1H-imidazol-4-yl)acetic acid has a molecular weight of 156.14 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(5-methyl-1H-imidazol-4-yl)acetic acid is sourced from PubChem (CID 11095477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).