methyl 3-(cyclopentylidenemethylcarbamoylamino)benzoate

C15H18N2O3 — CID 108913751

IUPACmethyl 3-(cyclopentylidenemethylcarbamoylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)NC=C2CCCC2)c1
InChIInChI=1S/C15H18N2O3/c1-20-14(18)12-7-4-8-13(9-12)17-15(19)16-10-11-5-2-3-6-11/h4,7-10H,2-3,5-6H2,1H3,(H2,16,17,19)
InChIKeyVAZASEMNZIIEMW-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.05
Rot. Bonds3

About methyl 3-(cyclopentylidenemethylcarbamoylamino)benzoate

methyl 3-(cyclopentylidenemethylcarbamoylamino)benzoate (PubChem CID 108913751) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 3-(cyclopentylidenemethylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-(cyclopentylidenemethylcarbamoylamino)benzoate
PubChem CID108913751
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 3-(cyclopentylidenemethylcarbamoylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)NC=C2CCCC2)c1
InChIInChI=1S/C15H18N2O3/c1-20-14(18)12-7-4-8-13(9-12)17-15(19)16-10-11-5-2-3-6-11/h4,7-10H,2-3,5-6H2,1H3,(H2,16,17,19)
InChIKeyVAZASEMNZIIEMW-UHFFFAOYSA-N
XLogP3.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylidenemethyl)-3-(3-methylphenyl)urea
CID 108913541
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
methyl 3-(carbamoylamino)benzoate
CID 2822841
methyl 3-(pyrrolidine-1-carbonylamino)benzoate
CID 39732853
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708
methyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 39732859
methyl 3-[[(2S)-pyrrolidin-2-yl]methylcarbamoylamino]benzoate;hydrochloride
CID 154900818
methyl 3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]amino]benzoate
CID 100682861
methyl 3-[(2-iodophenyl)carbamoylamino]benzoate
CID 108869084
methyl 3-[(2-chlorophenyl)carbamoylamino]benzoate
CID 43404884
methyl 3-(furan-2-ylcarbamoylamino)benzoate
CID 108868628
methyl 3-[(2,2-difluoroacetyl)amino]benzoate
CID 103600805

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopentylidenemethylcarbamoylamino)benzoate?
The IUPAC name of methyl 3-(cyclopentylidenemethylcarbamoylamino)benzoate (CID 108913751) is methyl 3-(cyclopentylidenemethylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 3-(cyclopentylidenemethylcarbamoylamino)benzoate?
The canonical SMILES for methyl 3-(cyclopentylidenemethylcarbamoylamino)benzoate is COC(=O)c1cccc(NC(=O)NC=C2CCCC2)c1.
What is the InChIKey of methyl 3-(cyclopentylidenemethylcarbamoylamino)benzoate?
The InChIKey is VAZASEMNZIIEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-20-14(18)12-7-4-8-13(9-12)17-15(19)16-10-11-5-2-3-6-11/h4,7-10H,2-3,5-6H2,1H3,(H2,16,17,19).
What are the key properties of methyl 3-(cyclopentylidenemethylcarbamoylamino)benzoate?
methyl 3-(cyclopentylidenemethylcarbamoylamino)benzoate has a molecular weight of 274.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopentylidenemethylcarbamoylamino)benzoate is sourced from PubChem (CID 108913751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).