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

C16H22N2O3 — CID 82764290

IUPAC2-[[ethyl(phenyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCN(C(=O)NC1CCCC1(C)C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-3-18(12-8-5-4-6-9-12)15(21)17-13-10-7-11-16(13,2)14(19)20/h4-6,8-9,13H,3,7,10-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyYQSIJYPHBXDBID-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.87
Rot. Bonds4

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

2-[[ethyl(phenyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82764290) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[[ethyl(phenyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[ethyl(phenyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82764290
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[[ethyl(phenyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCN(C(=O)NC1CCCC1(C)C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-3-18(12-8-5-4-6-9-12)15(21)17-13-10-7-11-16(13,2)14(19)20/h4-6,8-9,13H,3,7,10-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyYQSIJYPHBXDBID-UHFFFAOYSA-N
XLogP2.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764528
3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762437
1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82762976
1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 82765677
1-methyl-2-(3-phenylpropanoylamino)cyclohexane-1-carboxylic acid
CID 83209928
1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764495
2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 102995471
2-[[2-cyanoethyl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762365
1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446343
1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312370
2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764928

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(phenyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[ethyl(phenyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid (CID 82764290) is 2-[[ethyl(phenyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[ethyl(phenyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[ethyl(phenyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid is CCN(C(=O)NC1CCCC1(C)C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[ethyl(phenyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is YQSIJYPHBXDBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-18(12-8-5-4-6-9-12)15(21)17-13-10-7-11-16(13,2)14(19)20/h4-6,8-9,13H,3,7,10-11H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[[ethyl(phenyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
2-[[ethyl(phenyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(phenyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82764290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).