2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid

C13H16FNO2 — CID 103244298

IUPAC2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid
SMILESCC(NC1CCC1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO2/c1-8(9-2-4-10(14)5-3-9)15-12-7-6-11(12)13(16)17/h2-5,8,11-12,15H,6-7H2,1H3,(H,16,17)
InChIKeyKFPPCUPAZSQHKX-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.34
Rot. Bonds4

About 2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid

2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid (PubChem CID 103244298) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid
PubChem CID103244298
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid
SMILESCC(NC1CCC1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO2/c1-8(9-2-4-10(14)5-3-9)15-12-7-6-11(12)13(16)17/h2-5,8,11-12,15H,6-7H2,1H3,(H,16,17)
InChIKeyKFPPCUPAZSQHKX-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103246093
3-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066345
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 104881581
trans-(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 11020794
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 10933381
2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103240431
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 81347756
3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783147
N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61309333
2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103245807
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]cyclobutane-1-carboxylic acid
CID 103260204
6-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 81351475

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid (CID 103244298) is 2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid is CC(NC1CCC1C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid?
The InChIKey is KFPPCUPAZSQHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-8(9-2-4-10(14)5-3-9)15-12-7-6-11(12)13(16)17/h2-5,8,11-12,15H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid?
2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid has a molecular weight of 237.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103244298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).