2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C16H22N2O3 — CID 64817286

IUPAC2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)c1cccc(NC(=O)NC2CCCC2C(=O)O)c1
InChIInChI=1S/C16H22N2O3/c1-10(2)11-5-3-6-12(9-11)17-16(21)18-14-8-4-7-13(14)15(19)20/h3,5-6,9-10,13-14H,4,7-8H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyDEVRANQSFTUAIN-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.18
Rot. Bonds4

About 2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64817286) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID64817286
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)c1cccc(NC(=O)NC2CCCC2C(=O)O)c1
InChIInChI=1S/C16H22N2O3/c1-10(2)11-5-3-6-12(9-11)17-16(21)18-14-8-4-7-13(14)15(19)20/h3,5-6,9-10,13-14H,4,7-8H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyDEVRANQSFTUAIN-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea
CID 63279777
2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64818167
2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815752
1-[(1R,2R)-2-hydroxycyclopentyl]-3-[3-[(1R)-1-methylsulfanylethyl]phenyl]urea
CID 129422282
1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 62359300
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea
CID 47133190
2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64818045
1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea
CID 82737312
1-(2-carbamothioylcyclopentyl)-3-(3-chlorophenyl)urea
CID 55152530
2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103240431
2-[(4-bromo-3-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82860446

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 64817286) is 2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is CC(C)c1cccc(NC(=O)NC2CCCC2C(=O)O)c1.
What is the InChIKey of 2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is DEVRANQSFTUAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(2)11-5-3-6-12(9-11)17-16(21)18-14-8-4-7-13(14)15(19)20/h3,5-6,9-10,13-14H,4,7-8H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).