3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid

C15H18FNO3 — CID 60748335

IUPAC3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid
SMILESO=C(CCC1CCCC1)Nc1cc(C(=O)O)ccc1F
InChIInChI=1S/C15H18FNO3/c16-12-7-6-11(15(19)20)9-13(12)17-14(18)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,17,18)(H,19,20)
InChIKeyCEVDHXLIROLNEZ-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.43
Rot. Bonds5

About 3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid

3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid (PubChem CID 60748335) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid.

Molecular Properties

Compound Name3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid
PubChem CID60748335
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid
SMILESO=C(CCC1CCCC1)Nc1cc(C(=O)O)ccc1F
InChIInChI=1S/C15H18FNO3/c16-12-7-6-11(15(19)20)9-13(12)17-14(18)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,17,18)(H,19,20)
InChIKeyCEVDHXLIROLNEZ-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
3-(3-chloropropanoylamino)-4-fluorobenzoic acid
CID 43700942
3,4-bis(3-cyclohexylpropanoylamino)benzoate
CID 7309256
4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid
CID 103871804
3-(4-chlorobutanoylamino)-4-fluorobenzoic acid
CID 63307746
3-(5-bromopentanoylamino)-4-fluorobenzoic acid
CID 107908999
N-(5-amino-2,4-difluorophenyl)-3-cyclohexylpropanamide
CID 43549850
3-[3-(ethylamino)propanoylamino]-4-fluorobenzoic acid
CID 62833957
3-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-4-fluorobenzoic acid
CID 60749898
4-chloro-3-(3-piperidin-4-ylpropanoylamino)benzoic acid
CID 62210412
3-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 107400276

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid?
The IUPAC name of 3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid (CID 60748335) is 3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid.
What is the SMILES notation for 3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid?
The canonical SMILES for 3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid is O=C(CCC1CCCC1)Nc1cc(C(=O)O)ccc1F.
What is the InChIKey of 3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid?
The InChIKey is CEVDHXLIROLNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-12-7-6-11(15(19)20)9-13(12)17-14(18)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,17,18)(H,19,20).
What are the key properties of 3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid?
3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid has a molecular weight of 279.31 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid is sourced from PubChem (CID 60748335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).