1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-carboxylic acid

C11H12FNO3 — CID 91012833

IUPAC1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-carboxylic acid
SMILESO=C(O)C1(O)CN(Cc2cccc(F)c2)C1
InChIInChI=1S/C11H12FNO3/c12-9-3-1-2-8(4-9)5-13-6-11(16,7-13)10(14)15/h1-4,16H,5-7H2,(H,14,15)
InChIKeyVHDZURUIUVXFFW-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.46
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-carboxylic acid

1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-carboxylic acid (PubChem CID 91012833) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-carboxylic acid
PubChem CID91012833
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-carboxylic acid
SMILESO=C(O)C1(O)CN(Cc2cccc(F)c2)C1
InChIInChI=1S/C11H12FNO3/c12-9-3-1-2-8(4-9)5-13-6-11(16,7-13)10(14)15/h1-4,16H,5-7H2,(H,14,15)
InChIKeyVHDZURUIUVXFFW-UHFFFAOYSA-N
XLogP0.46
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-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

1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
CID 163326429
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
3-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]propanoic acid
CID 82323099
1-[(3-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63140936
2-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 62824164
2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid
CID 62310279
3,3,3-trifluoro-1-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 97449565
1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine;oxalic acid
CID 90483959
1-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118743522
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939
4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 71456901
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-carboxylic acid?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-carboxylic acid (CID 91012833) is 1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-carboxylic acid is O=C(O)C1(O)CN(Cc2cccc(F)c2)C1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-carboxylic acid?
The InChIKey is VHDZURUIUVXFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-9-3-1-2-8(4-9)5-13-6-11(16,7-13)10(14)15/h1-4,16H,5-7H2,(H,14,15).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-carboxylic acid?
1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-carboxylic acid is sourced from PubChem (CID 91012833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).