methyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate

C14H16N2O4 — CID 60616666

IUPACmethyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)NC2CC(=O)N(C)C2)c1
InChIInChI=1S/C14H16N2O4/c1-16-8-11(7-12(16)17)15-13(18)9-4-3-5-10(6-9)14(19)20-2/h3-6,11H,7-8H2,1-2H3,(H,15,18)
InChIKeyMKMSWUQKXIZCCC-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.43
Rot. Bonds3

About methyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate

methyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate (PubChem CID 60616666) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate
PubChem CID60616666
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namemethyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)NC2CC(=O)N(C)C2)c1
InChIInChI=1S/C14H16N2O4/c1-16-8-11(7-12(16)17)15-13(18)9-4-3-5-10(6-9)14(19)20-2/h3-6,11H,7-8H2,1-2H3,(H,15,18)
InChIKeyMKMSWUQKXIZCCC-UHFFFAOYSA-N
XLogP0.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736486
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide
CID 110736530
3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736500
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 60616745
4-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 119184714
methyl 6-[3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxylate
CID 119073100
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110473177
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate
CID 146129215
methyl 3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]benzoate
CID 47048188
methyl 3-[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]carbamoyl]benzoate
CID 25486979
2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736524

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate?
The IUPAC name of methyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate (CID 60616666) is methyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate?
The canonical SMILES for methyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate is COC(=O)c1cccc(C(=O)NC2CC(=O)N(C)C2)c1.
What is the InChIKey of methyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate?
The InChIKey is MKMSWUQKXIZCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-16-8-11(7-12(16)17)15-13(18)9-4-3-5-10(6-9)14(19)20-2/h3-6,11H,7-8H2,1-2H3,(H,15,18).
What are the key properties of methyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate?
methyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate has a molecular weight of 276.29 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate is sourced from PubChem (CID 60616666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).