3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid

C17H23NO3 — CID 107272399

IUPAC3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1NC(=O)CCC1CCCC1
InChIInChI=1S/C17H23NO3/c19-16(11-9-13-5-1-2-6-13)18-15-8-4-3-7-14(15)10-12-17(20)21/h3-4,7-8,13H,1-2,5-6,9-12H2,(H,18,19)(H,20,21)
InChIKeyKPGFQGGSDXWSRZ-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.61
Rot. Bonds7

About 3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid

3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid (PubChem CID 107272399) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid
PubChem CID107272399
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1NC(=O)CCC1CCCC1
InChIInChI=1S/C17H23NO3/c19-16(11-9-13-5-1-2-6-13)18-15-8-4-3-7-14(15)10-12-17(20)21/h3-4,7-8,13H,1-2,5-6,9-12H2,(H,18,19)(H,20,21)
InChIKeyKPGFQGGSDXWSRZ-UHFFFAOYSA-N
XLogP3.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-N-[2-(hydroxymethyl)phenyl]propanamide
CID 60653813
3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride
CID 119259979
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide
CID 27126992
3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide
CID 112789217
3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid
CID 107272559
3-piperidin-4-yl-N-(2-propylphenyl)propanamide;hydrochloride
CID 75418755
3-cyclohexyl-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46427586
3-[2-(5-aminopentanoylamino)phenyl]propanoic acid
CID 107273556
N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide
CID 108922941
3-[3-(3-cyclobutylpropanoylamino)phenyl]propanoic acid
CID 120538120

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid?
The IUPAC name of 3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid (CID 107272399) is 3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid is O=C(O)CCc1ccccc1NC(=O)CCC1CCCC1.
What is the InChIKey of 3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid?
The InChIKey is KPGFQGGSDXWSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-16(11-9-13-5-1-2-6-13)18-15-8-4-3-7-14(15)10-12-17(20)21/h3-4,7-8,13H,1-2,5-6,9-12H2,(H,18,19)(H,20,21).
What are the key properties of 3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid?
3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid has a molecular weight of 289.37 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid is sourced from PubChem (CID 107272399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).