methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate

C15H20N2O3 — CID 102777692

IUPACmethyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)C2NCCC2C)c1
InChIInChI=1S/C15H20N2O3/c1-9-4-5-11(15(19)20-3)8-12(9)17-14(18)13-10(2)6-7-16-13/h4-5,8,10,13,16H,6-7H2,1-3H3,(H,17,18)
InChIKeyFNURYWAWQWWKGV-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.72
Rot. Bonds3

About methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate

methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate (PubChem CID 102777692) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate
PubChem CID102777692
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)C2NCCC2C)c1
InChIInChI=1S/C15H20N2O3/c1-9-4-5-11(15(19)20-3)8-12(9)17-14(18)13-10(2)6-7-16-13/h4-5,8,10,13,16H,6-7H2,1-3H3,(H,17,18)
InChIKeyFNURYWAWQWWKGV-UHFFFAOYSA-N
XLogP1.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616964
N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777565
N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779307
N-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777919
N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 114257371
methyl 4-methyl-3-[[(1R,2R)-2-methylcyclohexyl]carbamothioylamino]benzoate
CID 8659762
3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 102779438
methyl 2,4-difluoro-5-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate
CID 102778214
methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate
CID 61213741
3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 102777906
methyl 3-[[(1S)-2,2-dichlorocyclopropanecarbonyl]amino]-4-methylbenzoate
CID 7920453
N-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102776855

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate (CID 102777692) is methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate is COC(=O)c1ccc(C)c(NC(=O)C2NCCC2C)c1.
What is the InChIKey of methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate?
The InChIKey is FNURYWAWQWWKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-4-5-11(15(19)20-3)8-12(9)17-14(18)13-10(2)6-7-16-13/h4-5,8,10,13,16H,6-7H2,1-3H3,(H,17,18).
What are the key properties of methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate?
methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate has a molecular weight of 276.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 102777692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).