1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid

C16H22N2O3 — CID 62003071

IUPAC1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C)cc(N(C)C(=O)NC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-11-8-12(2)10-13(9-11)18(3)15(21)17-16(14(19)20)6-4-5-7-16/h8-10H,4-7H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyOKOGMURHHWPMKF-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.85
Rot. Bonds3

About 1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid

1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 62003071) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID62003071
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C)cc(N(C)C(=O)NC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-11-8-12(2)10-13(9-11)18(3)15(21)17-16(14(19)20)6-4-5-7-16/h8-10H,4-7H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyOKOGMURHHWPMKF-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 107737300
1-[[(4-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163040
1-[(2,4,6-trimethylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43341207
1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid
CID 65451768
3-methyl-1-[[methyl(phenyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61290337
1-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81162694
1-[[2-[(3,5-dimethylphenyl)methylsulfanyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 118790500
1-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119943411
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61443760
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61443714
1-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61202704
1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61196038

Frequently Asked Questions

What is the IUPAC name of 1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid (CID 62003071) is 1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid is Cc1cc(C)cc(N(C)C(=O)NC2(C(=O)O)CCCC2)c1.
What is the InChIKey of 1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is OKOGMURHHWPMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-8-12(2)10-13(9-11)18(3)15(21)17-16(14(19)20)6-4-5-7-16/h8-10H,4-7H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,5-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62003071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).