methyl 2-[methyl(2-oxopropyl)amino]benzoate

C12H15NO3 — CID 117029506

IUPACmethyl 2-[methyl(2-oxopropyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)CC(C)=O
InChIInChI=1S/C12H15NO3/c1-9(14)8-13(2)11-7-5-4-6-10(11)12(15)16-3/h4-7H,8H2,1-3H3
InChIKeyWXVVPNWUYXBZPT-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.50
Rot. Bonds4

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

methyl 2-[methyl(2-oxopropyl)amino]benzoate (PubChem CID 117029506) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 2-[methyl(2-oxopropyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[methyl(2-oxopropyl)amino]benzoate
PubChem CID117029506
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 2-[methyl(2-oxopropyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)CC(C)=O
InChIInChI=1S/C12H15NO3/c1-9(14)8-13(2)11-7-5-4-6-10(11)12(15)16-3/h4-7H,8H2,1-3H3
InChIKeyWXVVPNWUYXBZPT-UHFFFAOYSA-N
XLogP1.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 2-[2-hydroxybutyl(methyl)amino]benzoate
CID 62028637
3-(2-methoxycarbonyl-N-methylanilino)-2,2-dimethylpropanoic acid
CID 79619521
methyl 2-[(2,6-difluorophenyl)methyl-methylamino]benzoate
CID 114933153
methyl 2-[2-cyanoethyl(methyl)amino]benzoate
CID 60694305
methyl 2-[methyl(2-methylsulfonylethyl)amino]benzoate
CID 62027116
methyl 2-[(4-methoxyphenyl)methyl-methylamino]benzoate
CID 62028058
methyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]benzoate
CID 80606153
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate
CID 63469902
methyl 2-[methyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]benzoate
CID 62626101
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(2-oxopropyl)amino]benzoate?
The IUPAC name of methyl 2-[methyl(2-oxopropyl)amino]benzoate (CID 117029506) is methyl 2-[methyl(2-oxopropyl)amino]benzoate.
What is the SMILES notation for methyl 2-[methyl(2-oxopropyl)amino]benzoate?
The canonical SMILES for methyl 2-[methyl(2-oxopropyl)amino]benzoate is COC(=O)c1ccccc1N(C)CC(C)=O.
What is the InChIKey of methyl 2-[methyl(2-oxopropyl)amino]benzoate?
The InChIKey is WXVVPNWUYXBZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(14)8-13(2)11-7-5-4-6-10(11)12(15)16-3/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2-[methyl(2-oxopropyl)amino]benzoate?
methyl 2-[methyl(2-oxopropyl)amino]benzoate has a molecular weight of 221.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(2-oxopropyl)amino]benzoate is sourced from PubChem (CID 117029506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).