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

C15H20N2O3 — CID 63714826

IUPACethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CNCC1C
InChIInChI=1S/C15H20N2O3/c1-3-20-15(19)11-6-4-5-7-13(11)17-14(18)12-9-16-8-10(12)2/h4-7,10,12,16H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyCDHOJCHLCXOYTK-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.66
Rot. Bonds4

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

ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate (PubChem CID 63714826) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
PubChem CID63714826
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CNCC1C
InChIInChI=1S/C15H20N2O3/c1-3-20-15(19)11-6-4-5-7-13(11)17-14(18)12-9-16-8-10(12)2/h4-7,10,12,16H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyCDHOJCHLCXOYTK-UHFFFAOYSA-N
XLogP1.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109130606
ethyl 2-[[2-[(2,3-dimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109141974
ethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate
CID 107067999
ethyl 2-[[(1R,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]benzoate
CID 6952567
N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714112
ethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109131782
ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109144216
ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143813
ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729067
ethyl 2-(oxane-4-carbonylamino)benzoate
CID 30790941
ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate
CID 104913687
ethyl 2-[[2-(azepane-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109140775

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate (CID 63714826) is ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C1CNCC1C.
What is the InChIKey of ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate?
The InChIKey is CDHOJCHLCXOYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-20-15(19)11-6-4-5-7-13(11)17-14(18)12-9-16-8-10(12)2/h4-7,10,12,16H,3,8-9H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate?
ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate has a molecular weight of 276.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 63714826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).