2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid

C16H21NO3 — CID 103977682

IUPAC2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(C(=O)C1CCCC1C(=O)O)c1ccccc1C
InChIInChI=1S/C16H21NO3/c1-3-17(14-10-5-4-7-11(14)2)15(18)12-8-6-9-13(12)16(19)20/h4-5,7,10,12-13H,3,6,8-9H2,1-2H3,(H,19,20)
InChIKeyPHRMJPFYFDPNBX-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.85
Rot. Bonds4

About 2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid

2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103977682) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103977682
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(C(=O)C1CCCC1C(=O)O)c1ccccc1C
InChIInChI=1S/C16H21NO3/c1-3-17(14-10-5-4-7-11(14)2)15(18)12-8-6-9-13(12)16(19)20/h4-5,7,10,12-13H,3,6,8-9H2,1-2H3,(H,19,20)
InChIKeyPHRMJPFYFDPNBX-UHFFFAOYSA-N
XLogP2.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791396
2-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978665
2-[ethyl(phenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113360944
(3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 95150702
1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 4595418
cis-(1R,3S)-3-[[ethyl-(2-methylphenyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106324097
cis-(1R,2S)-2-[2-(N-[(1S,2S)-2-carboxycyclohexanecarbonyl]anilino)ethyl-phenylcarbamoyl]cyclohexane-1-carboxylic acid
CID 51863308
3-[N-(cyclobutanecarbonyl)-2-methylanilino]propanoic acid
CID 60831633
(3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 39692566
2-[ethyl-(2-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390910
cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid
CID 24722312
N-ethyl-N-(2-methylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080533

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103977682) is 2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid is CCN(C(=O)C1CCCC1C(=O)O)c1ccccc1C.
What is the InChIKey of 2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is PHRMJPFYFDPNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-17(14-10-5-4-7-11(14)2)15(18)12-8-6-9-13(12)16(19)20/h4-5,7,10,12-13H,3,6,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103977682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).