1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid

C13H16FNO2 — CID 114990344

IUPAC1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NCc2ccc(F)cc2)CCCC1
InChIInChI=1S/C13H16FNO2/c14-11-5-3-10(4-6-11)9-15-13(12(16)17)7-1-2-8-13/h3-6,15H,1-2,7-9H2,(H,16,17)
InChIKeyYSEXCUAWMKRGQI-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.31
Rot. Bonds4

About 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid

1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid (PubChem CID 114990344) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid
PubChem CID114990344
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NCc2ccc(F)cc2)CCCC1
InChIInChI=1S/C13H16FNO2/c14-11-5-3-10(4-6-11)9-15-13(12(16)17)7-1-2-8-13/h3-6,15H,1-2,7-9H2,(H,16,17)
InChIKeyYSEXCUAWMKRGQI-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-fluorophenyl)methylamino]cyclopentane-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

1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81168085
1-[(4-iodophenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167632
1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid
CID 136516250
1-[(4-fluorophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097119
1-[(3-bromophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 67025452
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclobutane-1-carboxylic acid
CID 81157443
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]cyclobutane-1-carboxylic acid
CID 81156261
1-(pyridin-3-ylmethylamino)cyclohexane-1-carboxylic acid;dihydrochloride
CID 53422261
1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167827
1-[[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]methylamino]cyclopropane-1-carboxylic acid
CID 141243932
1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid
CID 136541376

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid (CID 114990344) is 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid is O=C(O)C1(NCc2ccc(F)cc2)CCCC1.
What is the InChIKey of 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid?
The InChIKey is YSEXCUAWMKRGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-5-3-10(4-6-11)9-15-13(12(16)17)7-1-2-8-13/h3-6,15H,1-2,7-9H2,(H,16,17).
What are the key properties of 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid?
1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid has a molecular weight of 237.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114990344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).