2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid

C16H21NO4 — CID 8893573

IUPAC2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1ccc(NC(=O)CC2(CC(=O)O)CCCC2)c(O)c1
InChIInChI=1S/C16H21NO4/c1-11-4-5-12(13(18)8-11)17-14(19)9-16(10-15(20)21)6-2-3-7-16/h4-5,8,18H,2-3,6-7,9-10H2,1H3,(H,17,19)(H,20,21)
InChIKeyCPWFBXPGCPTYQM-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.06
Rot. Bonds5

About 2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 8893573) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID8893573
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1ccc(NC(=O)CC2(CC(=O)O)CCCC2)c(O)c1
InChIInChI=1S/C16H21NO4/c1-11-4-5-12(13(18)8-11)17-14(19)9-16(10-15(20)21)6-2-3-7-16/h4-5,8,18H,2-3,6-7,9-10H2,1H3,(H,17,19)(H,20,21)
InChIKeyCPWFBXPGCPTYQM-UHFFFAOYSA-N
XLogP3.06
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-hydroxycyclopentyl)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 111430326
2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 18877711
2-[1-[2-(2,4-dibromoanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662604
2-[1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 63671201
2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 114931870
2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662542
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
2-[1-[2-(3-iodo-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662784
9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid
CID 22468230
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
2-[1-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 61403615
N-(2-benzoyl-4-methylphenyl)-2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetamide
CID 4729182

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid (CID 8893573) is 2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid is Cc1ccc(NC(=O)CC2(CC(=O)O)CCCC2)c(O)c1.
What is the InChIKey of 2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is CPWFBXPGCPTYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-4-5-12(13(18)8-11)17-14(19)9-16(10-15(20)21)6-2-3-7-16/h4-5,8,18H,2-3,6-7,9-10H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 8893573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).