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

C15H19NO3 — CID 113360944

IUPAC2-[ethyl(phenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(C(=O)C1CCCC1C(=O)O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-2-16(11-7-4-3-5-8-11)14(17)12-9-6-10-13(12)15(18)19/h3-5,7-8,12-13H,2,6,9-10H2,1H3,(H,18,19)
InChIKeyPYIURGUDRKQULX-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.54
Rot. Bonds4

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

2-[ethyl(phenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 113360944) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[ethyl(phenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(phenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID113360944
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[ethyl(phenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(C(=O)C1CCCC1C(=O)O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-2-16(11-7-4-3-5-8-11)14(17)12-9-6-10-13(12)15(18)19/h3-5,7-8,12-13H,2,6,9-10H2,1H3,(H,18,19)
InChIKeyPYIURGUDRKQULX-UHFFFAOYSA-N
XLogP2.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-[2-(N-[(1S,2S)-2-carboxycyclohexanecarbonyl]anilino)ethyl-phenylcarbamoyl]cyclohexane-1-carboxylic acid
CID 51863308
2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977682
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
2-[ethyl-(2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978665
N-ethyl-2-(hydroxymethyl)-N-phenylcyclohexane-1-carboxamide
CID 82121758
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784653
N-ethyl-6-methyl-N-phenylpiperidine-2-carboxamide
CID 24699676
2-amino-N-butyl-N-phenylcyclopentane-1-carboxamide
CID 64850280
N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide
CID 106738635
N-ethyl-N-phenyloxane-3-carboxamide
CID 110857893
3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782796

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(phenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[ethyl(phenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 113360944) is 2-[ethyl(phenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[ethyl(phenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[ethyl(phenyl)carbamoyl]cyclopentane-1-carboxylic acid is CCN(C(=O)C1CCCC1C(=O)O)c1ccccc1.
What is the InChIKey of 2-[ethyl(phenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is PYIURGUDRKQULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-16(11-7-4-3-5-8-11)14(17)12-9-6-10-13(12)15(18)19/h3-5,7-8,12-13H,2,6,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[ethyl(phenyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[ethyl(phenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(phenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113360944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).