3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid

C9H12N2O3 — CID 66142482

IUPAC3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid
SMILESO=C(O)CC(O)c1cncn1C1CC1
InChIInChI=1S/C9H12N2O3/c12-8(3-9(13)14)7-4-10-5-11(7)6-1-2-6/h4-6,8,12H,1-3H2,(H,13,14)
InChIKeyLWYUYHUXIRYPJT-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.73
Rot. Bonds4

About 3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid

3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid (PubChem CID 66142482) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid
PubChem CID66142482
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid
SMILESO=C(O)CC(O)c1cncn1C1CC1
InChIInChI=1S/C9H12N2O3/c12-8(3-9(13)14)7-4-10-5-11(7)6-1-2-6/h4-6,8,12H,1-3H2,(H,13,14)
InChIKeyLWYUYHUXIRYPJT-UHFFFAOYSA-N
XLogP0.73
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic 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

3-(3-cyclopropylimidazol-4-yl)-3-(diethylamino)propanoic acid
CID 66142290
2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol
CID 83875789
1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol
CID 66141454
3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol
CID 79126295
(3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide
CID 79026971
1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol
CID 66142466
ethyl 4-(3-cyclopropylimidazol-4-yl)-4-hydroxybutanoate
CID 66162909
1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol
CID 66142465
1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol
CID 79567273
2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid
CID 66140041
ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate
CID 66139484
1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 66139864

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid?
The IUPAC name of 3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid (CID 66142482) is 3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid.
What is the SMILES notation for 3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid?
The canonical SMILES for 3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid is O=C(O)CC(O)c1cncn1C1CC1.
What is the InChIKey of 3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid?
The InChIKey is LWYUYHUXIRYPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-8(3-9(13)14)7-4-10-5-11(7)6-1-2-6/h4-6,8,12H,1-3H2,(H,13,14).
What are the key properties of 3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid?
3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid is sourced from PubChem (CID 66142482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).