cyclopentyl 3-(carbamoylamino)benzoate

C13H16N2O3 — CID 47128803

IUPACcyclopentyl 3-(carbamoylamino)benzoate
SMILESNC(=O)Nc1cccc(C(=O)OC2CCCC2)c1
InChIInChI=1S/C13H16N2O3/c14-13(17)15-10-5-3-4-9(8-10)12(16)18-11-6-1-2-7-11/h3-5,8,11H,1-2,6-7H2,(H3,14,15,17)
InChIKeyDGDPMDOQHMBRDE-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.28
Rot. Bonds3

About cyclopentyl 3-(carbamoylamino)benzoate

cyclopentyl 3-(carbamoylamino)benzoate (PubChem CID 47128803) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is cyclopentyl 3-(carbamoylamino)benzoate.

Molecular Properties

Compound Namecyclopentyl 3-(carbamoylamino)benzoate
PubChem CID47128803
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namecyclopentyl 3-(carbamoylamino)benzoate
SMILESNC(=O)Nc1cccc(C(=O)OC2CCCC2)c1
InChIInChI=1S/C13H16N2O3/c14-13(17)15-10-5-3-4-9(8-10)12(16)18-11-6-1-2-7-11/h3-5,8,11H,1-2,6-7H2,(H3,14,15,17)
InChIKeyDGDPMDOQHMBRDE-UHFFFAOYSA-N
XLogP2.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclooctyl 3-[[(2S)-oxolane-2-carbonyl]amino]benzoate
CID 97011530
methyl 3-(carbamoylamino)benzoate
CID 2822841
cyclohexyl 3-bromobenzoate
CID 59510745
cyclopentyl 3-hydroxybenzoate
CID 82096879
[(1R)-4,7-difluoro-2,3-dihydro-1H-inden-1-yl] 3-(carbamoylamino)benzoate
CID 99634711
[(1S)-4,7-difluoro-2,3-dihydro-1H-inden-1-yl] 3-(carbamoylamino)benzoate
CID 99634712
3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide
CID 47128702
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
cyclohexyl 3-(methylsulfamoyl)benzoate
CID 78840543
cyclobutyl 3-methylbenzoate
CID 530470
piperidin-4-yl 3-[(4-fluorobenzoyl)amino]benzoate;hydrochloride
CID 102560121
[3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]urea
CID 9225541

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3-(carbamoylamino)benzoate?
The IUPAC name of cyclopentyl 3-(carbamoylamino)benzoate (CID 47128803) is cyclopentyl 3-(carbamoylamino)benzoate.
What is the SMILES notation for cyclopentyl 3-(carbamoylamino)benzoate?
The canonical SMILES for cyclopentyl 3-(carbamoylamino)benzoate is NC(=O)Nc1cccc(C(=O)OC2CCCC2)c1.
What is the InChIKey of cyclopentyl 3-(carbamoylamino)benzoate?
The InChIKey is DGDPMDOQHMBRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c14-13(17)15-10-5-3-4-9(8-10)12(16)18-11-6-1-2-7-11/h3-5,8,11H,1-2,6-7H2,(H3,14,15,17).
What are the key properties of cyclopentyl 3-(carbamoylamino)benzoate?
cyclopentyl 3-(carbamoylamino)benzoate has a molecular weight of 248.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 3-(carbamoylamino)benzoate is sourced from PubChem (CID 47128803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).