2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid

C16H22N2O3 — CID 64699643

IUPAC2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid
SMILESCc1ccc(NC(=O)NC2(CC(=O)O)CCCC2)c(C)c1
InChIInChI=1S/C16H22N2O3/c1-11-5-6-13(12(2)9-11)17-15(21)18-16(10-14(19)20)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyWHTUMMKHNQIPRA-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.21
Rot. Bonds4

About 2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid

2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid (PubChem CID 64699643) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid
PubChem CID64699643
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid
SMILESCc1ccc(NC(=O)NC2(CC(=O)O)CCCC2)c(C)c1
InChIInChI=1S/C16H22N2O3/c1-11-5-6-13(12(2)9-11)17-15(21)18-16(10-14(19)20)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyWHTUMMKHNQIPRA-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845476
1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111925840
2-[1-[(2,5-difluoro-4-methylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 103586712
2-[1-[(2-hydroxy-5-methylbenzoyl)amino]cyclopentyl]acetic acid
CID 64672001
2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845281
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-[(2-methylsulfanylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 107642357
2-[1-[(2,6-difluoro-3-methylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 82801440
2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid
CID 64702006
2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid
CID 136550006
2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid
CID 103480776
2-[1-(4-methyl-2-nitroanilino)cyclohexyl]acetic acid
CID 64700603

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid (CID 64699643) is 2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid is Cc1ccc(NC(=O)NC2(CC(=O)O)CCCC2)c(C)c1.
What is the InChIKey of 2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid?
The InChIKey is WHTUMMKHNQIPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-5-6-13(12(2)9-11)17-15(21)18-16(10-14(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 2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid?
2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 64699643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).