3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid

C15H18FNO3 — CID 119237684

IUPAC3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C1(c2cccc(F)c2)CCC1)C(=O)O
InChIInChI=1S/C15H18FNO3/c1-10(13(18)19)9-17-14(20)15(6-3-7-15)11-4-2-5-12(16)8-11/h2,4-5,8,10H,3,6-7,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyXEXVTJUMCZXLHY-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.08
Rot. Bonds5

About 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid

3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid (PubChem CID 119237684) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
PubChem CID119237684
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C1(c2cccc(F)c2)CCC1)C(=O)O
InChIInChI=1S/C15H18FNO3/c1-10(13(18)19)9-17-14(20)15(6-3-7-15)11-4-2-5-12(16)8-11/h2,4-5,8,10H,3,6-7,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyXEXVTJUMCZXLHY-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 120651377
1-(3-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]cyclobutane-1-carboxamide
CID 111791808
1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide
CID 111791814
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 134057340
1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide
CID 111791701
3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249767
N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119495759
1-(3-fluorophenyl)-N-[2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide
CID 71977317
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid (CID 119237684) is 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid is CC(CNC(=O)C1(c2cccc(F)c2)CCC1)C(=O)O.
What is the InChIKey of 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid?
The InChIKey is XEXVTJUMCZXLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-10(13(18)19)9-17-14(20)15(6-3-7-15)11-4-2-5-12(16)8-11/h2,4-5,8,10H,3,6-7,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid?
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid has a molecular weight of 279.31 g/mol, XLogP of 2.08, 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)cyclobutanecarbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 119237684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).