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

C17H22FNO3 — CID 119249767

IUPAC3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)O
InChIInChI=1S/C17H22FNO3/c1-16(2,15(21)22)11-19-14(20)17(8-3-4-9-17)12-6-5-7-13(18)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyPFUHPIUVFHVBIE-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.86
Rot. Bonds5

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

3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 119249767) has the molecular formula C17H22FNO3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
PubChem CID119249767
Molecular FormulaC17H22FNO3
Molecular Weight307.37 g/mol
Exact Mass307.16
IUPAC Name3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)O
InChIInChI=1S/C17H22FNO3/c1-16(2,15(21)22)11-19-14(20)17(8-3-4-9-17)12-6-5-7-13(18)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyPFUHPIUVFHVBIE-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-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250298
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701332
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 112792896
N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 119639919
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
N-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 111483353
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
N-[2-[(S)-tert-butylsulfinyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 95623396
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692
N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 60557792

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid (CID 119249767) is 3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)O.
What is the InChIKey of 3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is PFUHPIUVFHVBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-16(2,15(21)22)11-19-14(20)17(8-3-4-9-17)12-6-5-7-13(18)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid?
3-[[1-(3-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-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 119249767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).