3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid

C17H22FNO3 — CID 119250298

IUPAC3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)O
InChIInChI=1S/C17H22FNO3/c1-16(2,15(21)22)11-19-14(20)17(9-3-4-10-17)12-5-7-13(18)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyVKTRPKRBXZVZCX-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.86
Rot. Bonds5

About 3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid

3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 119250298) has the molecular formula C17H22FNO3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
PubChem CID119250298
Molecular FormulaC17H22FNO3
Molecular Weight307.37 g/mol
Exact Mass307.16
IUPAC Name3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)O
InChIInChI=1S/C17H22FNO3/c1-16(2,15(21)22)11-19-14(20)17(9-3-4-10-17)12-5-7-13(18)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyVKTRPKRBXZVZCX-UHFFFAOYSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249767
1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclobutane-1-carboxamide
CID 111337686
1-(4-fluorophenyl)-N-(2-hydroxy-2,3-dimethylbutyl)cyclopropane-1-carboxamide
CID 111484002
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide
CID 103772448
N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
CID 110474016
1-(4-fluorophenyl)-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 112537817
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 103840217
N-(2-aminoethyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119384814
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119643741
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 120829002
N-(2-amino-2-oxoethyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110473843

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid (CID 119250298) is 3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)O.
What is the InChIKey of 3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is VKTRPKRBXZVZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-16(2,15(21)22)11-19-14(20)17(9-3-4-10-17)12-5-7-13(18)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid?
3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 307.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 119250298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).