1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

C16H22N2O3 — CID 115433949

IUPAC1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1ccc(NC(=O)NCC2(C(=O)O)CCCC2)cc1C
InChIInChI=1S/C16H22N2O3/c1-11-5-6-13(9-12(11)2)18-15(21)17-10-16(14(19)20)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyACXPXTSZAAFRCZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.07
Rot. Bonds4

About 1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid

1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433949) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433949
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1ccc(NC(=O)NCC2(C(=O)O)CCCC2)cc1C
InChIInChI=1S/C16H22N2O3/c1-11-5-6-13(9-12(11)2)18-15(21)17-10-16(14(19)20)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyACXPXTSZAAFRCZ-UHFFFAOYSA-N
XLogP3.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3-chloro-4-methylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445346
2-[1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81149045
1-[[(4-iodophenyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436676
1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433087
1-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 119810650
1-[[(3-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433937
1-[[(4-acetylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445330
1-[[(4-chloro-3-fluorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434138
1-[(thiophen-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436981
1-[[(2,5-dichloro-4-methylphenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 104727751
1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433896
1-[[(3-amino-2-methylbutanoyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 120501902

Frequently Asked Questions

What is the IUPAC name of 1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 115433949) is 1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is Cc1ccc(NC(=O)NCC2(C(=O)O)CCCC2)cc1C.
What is the InChIKey of 1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is ACXPXTSZAAFRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-5-6-13(9-12(11)2)18-15(21)17-10-16(14(19)20)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).