2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

C16H21NO4 — CID 106259952

IUPAC2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccccc1CCNC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C16H21NO4/c1-21-14-8-3-2-5-11(14)9-10-17-15(18)12-6-4-7-13(12)16(19)20/h2-3,5,8,12-13H,4,6-7,9-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyLGOWIKWGEIWBLQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.85
Rot. Bonds6

About 2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 106259952) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID106259952
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccccc1CCNC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C16H21NO4/c1-21-14-8-3-2-5-11(14)9-10-17-15(18)12-6-4-7-13(12)16(19)20/h2-3,5,8,12-13H,4,6-7,9-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyLGOWIKWGEIWBLQ-UHFFFAOYSA-N
XLogP1.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124674779
trans-(1S,2S)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 800075
2-amino-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 103808135
N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-3-carboxamide
CID 106261503
2-N-[2-(2-methoxyphenyl)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109137821
trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94164156
N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 11708711
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
N-[2-(2-methoxyphenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 106260939
(1R,2S,3S,4S)-3-[2-(2-methoxyphenyl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51426048
(1R,2S,3R,4S)-3-[2-(2-methoxyphenyl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51426046
2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974497

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (CID 106259952) is 2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is COc1ccccc1CCNC(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is LGOWIKWGEIWBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-21-14-8-3-2-5-11(14)9-10-17-15(18)12-6-4-7-13(12)16(19)20/h2-3,5,8,12-13H,4,6-7,9-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106259952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).