2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C15H20N2O4 — CID 64816365

IUPAC2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)NC2CCCC2C(=O)O)c(C)c1
InChIInChI=1S/C15H20N2O4/c1-9-8-10(21-2)6-7-12(9)16-15(20)17-13-5-3-4-11(13)14(18)19/h6-8,11,13H,3-5H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyWBCRYLDUVUIGPJ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.38
Rot. Bonds4

About 2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64816365) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID64816365
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)NC2CCCC2C(=O)O)c(C)c1
InChIInChI=1S/C15H20N2O4/c1-9-8-10(21-2)6-7-12(9)16-15(20)17-13-5-3-4-11(13)14(18)19/h6-8,11,13H,3-5H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyWBCRYLDUVUIGPJ-UHFFFAOYSA-N
XLogP2.38
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816695
2-[(2-bromo-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64815711
1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 69479184
2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82766632
1-(2,3-dimethylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860194
1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 110933023
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid
CID 115412235
4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline
CID 65045492
1-[(4-methoxy-2-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721672
1-(2,4-dimethylphenyl)-3-(2-methylcyclohexyl)urea
CID 17265372

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 64816365) is 2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is COc1ccc(NC(=O)NC2CCCC2C(=O)O)c(C)c1.
What is the InChIKey of 2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is WBCRYLDUVUIGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-8-10(21-2)6-7-12(9)16-15(20)17-13-5-3-4-11(13)14(18)19/h6-8,11,13H,3-5H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64816365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).