2-[1-[3-(4-methylphenyl)prop-2-enoylamino]cyclopentyl]acetic acid

C17H21NO3 — CID 77058445

IUPAC2-[1-[3-(4-methylphenyl)prop-2-enoylamino]cyclopentyl]acetic acid
SMILESCc1ccc(C=CC(=O)NC2(CC(=O)O)CCCC2)cc1
InChIInChI=1S/C17H21NO3/c1-13-4-6-14(7-5-13)8-9-15(19)18-17(12-16(20)21)10-2-3-11-17/h4-9H,2-3,10-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyJGMKHBBIUHYXPV-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.91
Rot. Bonds5

About 2-[1-[3-(4-methylphenyl)prop-2-enoylamino]cyclopentyl]acetic acid

2-[1-[3-(4-methylphenyl)prop-2-enoylamino]cyclopentyl]acetic acid (PubChem CID 77058445) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[1-[3-(4-methylphenyl)prop-2-enoylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(4-methylphenyl)prop-2-enoylamino]cyclopentyl]acetic acid
PubChem CID77058445
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[1-[3-(4-methylphenyl)prop-2-enoylamino]cyclopentyl]acetic acid
SMILESCc1ccc(C=CC(=O)NC2(CC(=O)O)CCCC2)cc1
InChIInChI=1S/C17H21NO3/c1-13-4-6-14(7-5-13)8-9-15(19)18-17(12-16(20)21)10-2-3-11-17/h4-9H,2-3,10-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyJGMKHBBIUHYXPV-UHFFFAOYSA-N
XLogP2.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[1-[3-(4-methylphenyl)prop-2-enoylamino]cyclopentyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-(4-methylphenyl)prop-2-enamide
CID 76946111
2-[1-[3-(5-methylfuran-2-yl)prop-2-enoylamino]cyclopentyl]acetic acid
CID 77058333
(E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-methylphenyl)prop-2-enamide
CID 103954316
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
3-(4-bromophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 76945789
2-[1-(3-thiophen-2-ylprop-2-enoylamino)cyclohexyl]acetic acid
CID 77058374
(E)-N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 115878144
(E)-3-[4-(dimethylamino)phenyl]-N-[1-(hydroxymethyl)cyclobutyl]prop-2-enamide
CID 115878274
2-[1-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]cyclobutyl]acetic acid
CID 79845296
2-[1-[(2-hydroxy-5-methylbenzoyl)amino]cyclopentyl]acetic acid
CID 64672001
N-[1-(aminomethyl)cyclopentyl]-3-(4-nitrophenyl)prop-2-enamide
CID 77011092
2-[1-[[methyl-(4-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851463

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-methylphenyl)prop-2-enoylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[3-(4-methylphenyl)prop-2-enoylamino]cyclopentyl]acetic acid (CID 77058445) is 2-[1-[3-(4-methylphenyl)prop-2-enoylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[3-(4-methylphenyl)prop-2-enoylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[3-(4-methylphenyl)prop-2-enoylamino]cyclopentyl]acetic acid is Cc1ccc(C=CC(=O)NC2(CC(=O)O)CCCC2)cc1.
What is the InChIKey of 2-[1-[3-(4-methylphenyl)prop-2-enoylamino]cyclopentyl]acetic acid?
The InChIKey is JGMKHBBIUHYXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13-4-6-14(7-5-13)8-9-15(19)18-17(12-16(20)21)10-2-3-11-17/h4-9H,2-3,10-12H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[1-[3-(4-methylphenyl)prop-2-enoylamino]cyclopentyl]acetic acid?
2-[1-[3-(4-methylphenyl)prop-2-enoylamino]cyclopentyl]acetic acid has a molecular weight of 287.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-methylphenyl)prop-2-enoylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 77058445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).