2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid

C21H23NO3 — CID 126584625

IUPAC2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)NC1CCCC1C(=O)O
InChIInChI=1S/C21H23NO3/c23-20(22-19-8-4-7-18(19)21(24)25)14-11-15-9-12-17(13-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-10,12-13,18-19H,4,7-8,11,14H2,(H,22,23)(H,24,25)
InChIKeyBWSNGQNPRDPIOI-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.66
Rot. Bonds6

About 2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid

2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 126584625) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID126584625
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)NC1CCCC1C(=O)O
InChIInChI=1S/C21H23NO3/c23-20(22-19-8-4-7-18(19)21(24)25)14-11-15-9-12-17(13-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-10,12-13,18-19H,4,7-8,11,14H2,(H,22,23)(H,24,25)
InChIKeyBWSNGQNPRDPIOI-UHFFFAOYSA-N
XLogP3.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812086
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide
CID 76978572
2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 64813064
N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide
CID 62955876
2-[3-(2-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812084
N-(2-tert-butylcyclohexyl)-3-phenylpropanamide
CID 17147377
N-(2-cyanocyclopentyl)-3-phenylpropanamide
CID 62961970
N-hydroxy-3-(4-phenylphenyl)propanamide
CID 22915508
2-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]cyclooctane-1-carboxylic acid
CID 120532940
2-[[2-(2-chlorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64812051
2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 81322034
N-(2-carbamothioylcyclopentyl)-3-(4-methoxyphenyl)propanamide
CID 62956927

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid (CID 126584625) is 2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid is O=C(CCc1ccc(-c2ccccc2)cc1)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is BWSNGQNPRDPIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-20(22-19-8-4-7-18(19)21(24)25)14-11-15-9-12-17(13-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-10,12-13,18-19H,4,7-8,11,14H2,(H,22,23)(H,24,25).
What are the key properties of 2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid?
2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 337.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 126584625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).