2-imidazol-1-ylpropanoic acid

C6H8N2O2 — CID 16788764

IUPAC2-imidazol-1-ylpropanoic acid
SMILESCC(C(=O)O)n1ccnc1
InChIInChI=1S/C6H8N2O2/c1-5(6(9)10)8-3-2-7-4-8/h2-5H,1H3,(H,9,10)
InChIKeySFWQHFXRVMKCLS-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.53
Rot. Bonds2

About 2-imidazol-1-ylpropanoic acid

2-imidazol-1-ylpropanoic acid (PubChem CID 16788764) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-imidazol-1-ylpropanoic acid.

Molecular Properties

Compound Name2-imidazol-1-ylpropanoic acid
PubChem CID16788764
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-imidazol-1-ylpropanoic acid
SMILESCC(C(=O)O)n1ccnc1
InChIInChI=1S/C6H8N2O2/c1-5(6(9)10)8-3-2-7-4-8/h2-5H,1H3,(H,9,10)
InChIKeySFWQHFXRVMKCLS-UHFFFAOYSA-N
XLogP0.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-imidazol-1-ylpropanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

carbonic acid;1-propan-2-ylimidazole
CID 175084414
2-imidazol-1-yl-1-phenylpropan-1-one
CID 13282605
(3R)-3-imidazol-1-ylbutanoic acid
CID 683521
N-(2-hydroxypropan-2-yl)-2-imidazol-1-ylpropanamide
CID 174552130
2-imidazol-1-yl-N-(methylcarbamoyl)propanamide
CID 60704182
1-imidazol-1-ylethanol
CID 18366448
2-imidazol-1-yl-3-methoxypropanoic acid
CID 105434384
N-cyclohexyl-2-imidazol-1-ylpropanamide
CID 46458376
1-butan-2-ylimidazole;methyl hydrogen carbonate
CID 174740697
2-ethyl-4-(1-imidazol-1-ylethoxy)-3-oxobutanoic acid
CID 70432286
dodecyl 2-imidazol-1-ylpropanoate
CID 10063901
1-(1-chloroethyl)imidazole
CID 22400425

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-ylpropanoic acid?
The IUPAC name of 2-imidazol-1-ylpropanoic acid (CID 16788764) is 2-imidazol-1-ylpropanoic acid.
What is the SMILES notation for 2-imidazol-1-ylpropanoic acid?
The canonical SMILES for 2-imidazol-1-ylpropanoic acid is CC(C(=O)O)n1ccnc1.
What is the InChIKey of 2-imidazol-1-ylpropanoic acid?
The InChIKey is SFWQHFXRVMKCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-5(6(9)10)8-3-2-7-4-8/h2-5H,1H3,(H,9,10).
What are the key properties of 2-imidazol-1-ylpropanoic acid?
2-imidazol-1-ylpropanoic acid has a molecular weight of 140.14 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-ylpropanoic acid is sourced from PubChem (CID 16788764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).