3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C15H18N2O4 — CID 66032344

IUPAC3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(=O)c1ccc(NC(=O)NC2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H18N2O4/c1-9(18)10-2-5-12(6-3-10)16-15(21)17-13-7-4-11(8-13)14(19)20/h2-3,5-6,11,13H,4,7-8H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyZPBQYUHNROWEED-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.26
Rot. Bonds4

About 3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid

3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 66032344) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID66032344
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(=O)c1ccc(NC(=O)NC2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H18N2O4/c1-9(18)10-2-5-12(6-3-10)16-15(21)17-13-7-4-11(8-13)14(19)20/h2-3,5-6,11,13H,4,7-8H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyZPBQYUHNROWEED-UHFFFAOYSA-N
XLogP2.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea
CID 62319447
cis-(1R,3S)-3-[(3,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324149
1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea
CID 75523226
3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030616
4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076103
cis-(1S,3R)-3-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120675005
3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043293
cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320365
3-(4-acetylanilino)cyclobutane-1-carboxylic acid
CID 117027767
3-[(3-bromo-4-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 104780167
cis-(1R,3S)-3-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319809

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 66032344) is 3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is CC(=O)c1ccc(NC(=O)NC2CCC(C(=O)O)C2)cc1.
What is the InChIKey of 3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is ZPBQYUHNROWEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9(18)10-2-5-12(6-3-10)16-15(21)17-13-7-4-11(8-13)14(19)20/h2-3,5-6,11,13H,4,7-8H2,1H3,(H,19,20)(H2,16,17,21).
What are the key properties of 3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).