3-[(4-fluorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid

C13H16FNO2 — CID 117042951

IUPAC3-[(4-fluorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid
SMILESCN(Cc1ccc(F)cc1)C1CC(C(=O)O)C1
InChIInChI=1S/C13H16FNO2/c1-15(12-6-10(7-12)13(16)17)8-9-2-4-11(14)5-3-9/h2-5,10,12H,6-8H2,1H3,(H,16,17)
InChIKeyPMDDKAVYLUZYFV-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.12
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid

3-[(4-fluorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid (PubChem CID 117042951) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid
PubChem CID117042951
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name3-[(4-fluorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid
SMILESCN(Cc1ccc(F)cc1)C1CC(C(=O)O)C1
InChIInChI=1S/C13H16FNO2/c1-15(12-6-10(7-12)13(16)17)8-9-2-4-11(14)5-3-9/h2-5,10,12H,6-8H2,1H3,(H,16,17)
InChIKeyPMDDKAVYLUZYFV-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(4-fluorophenyl)methyl-methylamino]cyclobutane-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-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117038263
3-[(3,4-dimethylphenyl)methyl-methylamino]cyclobutane-1-carboxylic acid
CID 117042949
2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042665
3-[methyl-[(3-methylphenyl)methyl]amino]cyclobutane-1-carboxylic acid
CID 117042985
4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)
CID 162320041
1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032088
3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]cyclobutane-1-carboxylic acid
CID 117043007
(3S)-1-[(4-fluorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81117692
3-[(4-fluoro-2-methylbenzoyl)-methylamino]cyclobutane-1-carboxylic acid
CID 154763620
N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 110190860
3-[N-methyl-4-(2-methylpropyl)anilino]cyclobutane-1-carboxylic acid
CID 117042861
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 107904215

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid (CID 117042951) is 3-[(4-fluorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid is CN(Cc1ccc(F)cc1)C1CC(C(=O)O)C1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid?
The InChIKey is PMDDKAVYLUZYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-15(12-6-10(7-12)13(16)17)8-9-2-4-11(14)5-3-9/h2-5,10,12H,6-8H2,1H3,(H,16,17).
What are the key properties of 3-[(4-fluorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid?
3-[(4-fluorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid has a molecular weight of 237.27 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117042951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).