1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid

C14H18N2O3 — CID 82762976

IUPAC1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)Nc1ccccc1
InChIInChI=1S/C14H18N2O3/c1-14(12(17)18)9-5-8-11(14)16-13(19)15-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyGAPWHIRKNKEVEI-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.45
Rot. Bonds3

About 1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid

1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 82762976) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID82762976
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)Nc1ccccc1
InChIInChI=1S/C14H18N2O3/c1-14(12(17)18)9-5-8-11(14)16-13(19)15-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyGAPWHIRKNKEVEI-UHFFFAOYSA-N
XLogP2.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82762508
1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82762881
2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82765860
2-[(3-fluoro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764542
2-[(3-chloro-5-fluorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 107368667
1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82765529
1-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 82765677
2-[(2-fluoro-4-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764317
2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 107627661
1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea
CID 79832263
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 105419635
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 107464205

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 82762976) is 1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is GAPWHIRKNKEVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(12(17)18)9-5-8-11(14)16-13(19)15-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82762976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).