3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid

C11H13NO4 — CID 90134971

IUPAC3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid
SMILESCOc1ccccc1C1(O)CN(C(=O)O)C1
InChIInChI=1S/C11H13NO4/c1-16-9-5-3-2-4-8(9)11(15)6-12(7-11)10(13)14/h2-5,15H,6-7H2,1H3,(H,13,14)
InChIKeyZHHFVSIRNDNKEL-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.88
Rot. Bonds2

About 3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid

3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid (PubChem CID 90134971) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid
PubChem CID90134971
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid
SMILESCOc1ccccc1C1(O)CN(C(=O)O)C1
InChIInChI=1S/C11H13NO4/c1-16-9-5-3-2-4-8(9)11(15)6-12(7-11)10(13)14/h2-5,15H,6-7H2,1H3,(H,13,14)
InChIKeyZHHFVSIRNDNKEL-UHFFFAOYSA-N
XLogP0.88
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-3-(2-methoxyphenyl)azetidine-1-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

Related Compounds

3-hydroxy-3-(2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 80502483
tert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate
CID 139491021
(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
CID 129372424
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(2-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353394
1-(2-methoxyphenyl)-4-methylcyclohexan-1-ol
CID 60794785
1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000873
1-cyclopropyl-3-(2-methoxyphenyl)-5-methylpyrrolidin-3-ol
CID 113491781
3-(2-methoxyphenyl)-5,5-dimethylthian-3-ol
CID 79946466
[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 30945052
1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168175
1-[(3S)-3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 51500861

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid?
The IUPAC name of 3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid (CID 90134971) is 3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid is COc1ccccc1C1(O)CN(C(=O)O)C1.
What is the InChIKey of 3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid?
The InChIKey is ZHHFVSIRNDNKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-16-9-5-3-2-4-8(9)11(15)6-12(7-11)10(13)14/h2-5,15H,6-7H2,1H3,(H,13,14).
What are the key properties of 3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid?
3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid is sourced from PubChem (CID 90134971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).