methyl 5-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoate

C15H20N2O3 — CID 60921850

IUPACmethyl 5-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)C1CCN(C)C1
InChIInChI=1S/C15H20N2O3/c1-10-4-5-13(12(8-10)15(19)20-3)16-14(18)11-6-7-17(2)9-11/h4-5,8,11H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyRYYKSPCSHMOAIR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.67
Rot. Bonds3

About methyl 5-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoate

methyl 5-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoate (PubChem CID 60921850) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 5-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoate
PubChem CID60921850
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 5-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)C1CCN(C)C1
InChIInChI=1S/C15H20N2O3/c1-10-4-5-13(12(8-10)15(19)20-3)16-14(18)11-6-7-17(2)9-11/h4-5,8,11H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyRYYKSPCSHMOAIR-UHFFFAOYSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62655467
ethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate
CID 143625975
methyl 2-(cyclopent-3-ene-1-carbonylamino)-5-methylbenzoate
CID 64767203
methyl 5-methyl-2-(pyrrolidine-3-carbonylamino)benzoate
CID 55149872
methyl 5-methyl-2-(oxolane-3-carbonylamino)benzoate
CID 61278907
5-iodo-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63110712
methyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate
CID 50875352
methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate
CID 95923491
methyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113007945
3-fluoro-4-[(1-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63189730
methyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate
CID 46404099
N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110858756

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 5-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoate (CID 60921850) is methyl 5-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 5-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 5-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoate is COC(=O)c1cc(C)ccc1NC(=O)C1CCN(C)C1.
What is the InChIKey of methyl 5-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoate?
The InChIKey is RYYKSPCSHMOAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-4-5-13(12(8-10)15(19)20-3)16-14(18)11-6-7-17(2)9-11/h4-5,8,11H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of methyl 5-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoate?
methyl 5-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoate has a molecular weight of 276.34 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 60921850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).