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

C16H22N2O3 — CID 61196688

IUPAC1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)c1cccc(NC(=O)NC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-11(2)12-6-5-7-13(10-12)17-15(21)18-16(14(19)20)8-3-4-9-16/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyKHRPCNYGTZEAIK-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.33
Rot. Bonds4

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

1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 61196688) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID61196688
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)c1cccc(NC(=O)NC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-11(2)12-6-5-7-13(10-12)17-15(21)18-16(14(19)20)8-3-4-9-16/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyKHRPCNYGTZEAIK-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107809508
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 43341699
1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186922
3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 61196314
1-[1-(hydroxymethyl)cyclopentyl]-3-[3-(1-methoxyethyl)phenyl]urea
CID 111926256
(2S,3R)-3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 104965833
1-[(4-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61186362
1-[(4-fluoro-3-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 62813931
1-[(3-chloro-4-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81164066
3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 61196687
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N'-(3-propan-2-ylphenyl)oxamide
CID 111629836

Frequently Asked Questions

What is the IUPAC name of 1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 61196688) is 1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is CC(C)c1cccc(NC(=O)NC2(C(=O)O)CCCC2)c1.
What is the InChIKey of 1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is KHRPCNYGTZEAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)12-6-5-7-13(10-12)17-15(21)18-16(14(19)20)8-3-4-9-16/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61196688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).