methyl 2-[cyclopropylcarbamoyl(methyl)amino]benzoate

C13H16N2O3 — CID 62700811

IUPACmethyl 2-[cyclopropylcarbamoyl(methyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)NC1CC1
InChIInChI=1S/C13H16N2O3/c1-15(13(17)14-9-7-8-9)11-6-4-3-5-10(11)12(16)18-2/h3-6,9H,7-8H2,1-2H3,(H,14,17)
InChIKeyBLMMPXMEVXBGIO-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.78
Rot. Bonds3

About methyl 2-[cyclopropylcarbamoyl(methyl)amino]benzoate

methyl 2-[cyclopropylcarbamoyl(methyl)amino]benzoate (PubChem CID 62700811) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl 2-[cyclopropylcarbamoyl(methyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[cyclopropylcarbamoyl(methyl)amino]benzoate
PubChem CID62700811
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl 2-[cyclopropylcarbamoyl(methyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)NC1CC1
InChIInChI=1S/C13H16N2O3/c1-15(13(17)14-9-7-8-9)11-6-4-3-5-10(11)12(16)18-2/h3-6,9H,7-8H2,1-2H3,(H,14,17)
InChIKeyBLMMPXMEVXBGIO-UHFFFAOYSA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(1-methylpiperidin-4-yl)carbamoyl]amino]benzoic acid
CID 61198603
methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate
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3-cyclohexyl-1-(2-fluorophenyl)-1-methylurea;hydrochloride
CID 174490608
methyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate
CID 20787944
2-[(1,1-dioxothiolan-3-yl)carbamoyl-methylamino]benzoic acid
CID 61181828
methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]benzoate
CID 43423118
methyl 2-[3-cyclopentylpropanoyl(methyl)amino]benzoate
CID 43409536
methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
CID 3249566
methyl 2-[(4-hydroxycyclohexyl)-methylamino]benzoate
CID 117029658
methyl 2-[2-bromopropanoyl(methyl)amino]benzoate
CID 11392410
methyl 2-[azepane-1-carbonyl(methyl)amino]benzoate
CID 79157661
methyl 2-[(1-acetylazetidine-3-carbonyl)-methylamino]benzoate
CID 71785230

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopropylcarbamoyl(methyl)amino]benzoate?
The IUPAC name of methyl 2-[cyclopropylcarbamoyl(methyl)amino]benzoate (CID 62700811) is methyl 2-[cyclopropylcarbamoyl(methyl)amino]benzoate.
What is the SMILES notation for methyl 2-[cyclopropylcarbamoyl(methyl)amino]benzoate?
The canonical SMILES for methyl 2-[cyclopropylcarbamoyl(methyl)amino]benzoate is COC(=O)c1ccccc1N(C)C(=O)NC1CC1.
What is the InChIKey of methyl 2-[cyclopropylcarbamoyl(methyl)amino]benzoate?
The InChIKey is BLMMPXMEVXBGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15(13(17)14-9-7-8-9)11-6-4-3-5-10(11)12(16)18-2/h3-6,9H,7-8H2,1-2H3,(H,14,17).
What are the key properties of methyl 2-[cyclopropylcarbamoyl(methyl)amino]benzoate?
methyl 2-[cyclopropylcarbamoyl(methyl)amino]benzoate has a molecular weight of 248.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopropylcarbamoyl(methyl)amino]benzoate is sourced from PubChem (CID 62700811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).