3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid

C15H18FNO3 — CID 82324866

IUPAC3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C15H18FNO3/c16-12-7-5-11(6-8-12)15(20)17(10-9-14(18)19)13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,18,19)
InChIKeySIQUULFPPICHSE-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.69
Rot. Bonds5

About 3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid

3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid (PubChem CID 82324866) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid
PubChem CID82324866
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C15H18FNO3/c16-12-7-5-11(6-8-12)15(20)17(10-9-14(18)19)13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,18,19)
InChIKeySIQUULFPPICHSE-UHFFFAOYSA-N
XLogP2.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide
CID 102873060
N,N-dicyclohexyl-4-fluorobenzamide
CID 784952
3-[(4-aminobenzoyl)-cyclopropylamino]propanoic acid
CID 61161244
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 63209469
N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
CID 61053717
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
3-[(4-chlorobenzoyl)-(oxan-4-yl)amino]propanoic acid
CID 122146334
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide
CID 78853764
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 78853832
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 78853833
N-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 78853831
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid (CID 82324866) is 3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid is O=C(O)CCN(C(=O)c1ccc(F)cc1)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid?
The InChIKey is SIQUULFPPICHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-12-7-5-11(6-8-12)15(20)17(10-9-14(18)19)13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,18,19).
What are the key properties of 3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid?
3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid has a molecular weight of 279.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid is sourced from PubChem (CID 82324866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).