2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid

C15H18FNO3 — CID 120976301

IUPAC2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(NC(=O)C1CCC1C(=O)O)c1cccc(F)c1
InChIInChI=1S/C15H18FNO3/c1-15(2,9-4-3-5-10(16)8-9)17-13(18)11-6-7-12(11)14(19)20/h3-5,8,11-12H,6-7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyWJHUQJFULVNGQZ-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.29
Rot. Bonds4

About 2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid

2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120976301) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120976301
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(NC(=O)C1CCC1C(=O)O)c1cccc(F)c1
InChIInChI=1S/C15H18FNO3/c1-15(2,9-4-3-5-10(16)8-9)17-13(18)11-6-7-12(11)14(19)20/h3-5,8,11-12H,6-7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyWJHUQJFULVNGQZ-UHFFFAOYSA-N
XLogP2.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-(3-fluorophenyl)propan-2-yl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120976301) is 2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid is CC(C)(NC(=O)C1CCC1C(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is WJHUQJFULVNGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-15(2,9-4-3-5-10(16)8-9)17-13(18)11-6-7-12(11)14(19)20/h3-5,8,11-12H,6-7H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).