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

C15H18FNO3 — CID 119249836

IUPAC3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C1CC1c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H18FNO3/c1-15(2,14(19)20)8-17-13(18)12-7-11(12)9-3-5-10(16)6-4-9/h3-6,11-12H,7-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyPUVQOVYBIIXOPD-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.16
Rot. Bonds5

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

3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 119249836) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
PubChem CID119249836
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C1CC1c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H18FNO3/c1-15(2,14(19)20)8-17-13(18)12-7-11(12)9-3-5-10(16)6-4-9/h3-6,11-12H,7-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyPUVQOVYBIIXOPD-UHFFFAOYSA-N
XLogP2.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic 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

methyl 3-[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoate
CID 97010209
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782
3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 97324672
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 51291702
2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide
CID 134009740
2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 49491563
(2R)-N-propyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 130471039
trans-(1R,2R)-2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]cyclopropane-1-carboxamide
CID 95338461
(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 129446041
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 103681545
4-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688195
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 111335296

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid (CID 119249836) is 3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)C1CC1c1ccc(F)cc1)C(=O)O.
What is the InChIKey of 3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is PUVQOVYBIIXOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-15(2,14(19)20)8-17-13(18)12-7-11(12)9-3-5-10(16)6-4-9/h3-6,11-12H,7-8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid?
3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 279.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 119249836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).