methyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylate

C11H12N4O4 — CID 168696464

IUPACmethyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(N2CC(C(N)=O)CC2=O)nc1
InChIInChI=1S/C11H12N4O4/c1-19-10(18)7-3-13-11(14-4-7)15-5-6(9(12)17)2-8(15)16/h3-4,6H,2,5H2,1H3,(H2,12,17)
InChIKeyRKGQJVPTYSHFIR-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.90
Rot. Bonds3

About methyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylate

methyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylate (PubChem CID 168696464) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is methyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylate
PubChem CID168696464
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Namemethyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(N2CC(C(N)=O)CC2=O)nc1
InChIInChI=1S/C11H12N4O4/c1-19-10(18)7-3-13-11(14-4-7)15-5-6(9(12)17)2-8(15)16/h3-4,6H,2,5H2,1H3,(H2,12,17)
InChIKeyRKGQJVPTYSHFIR-UHFFFAOYSA-N
XLogP-0.90
TPSA115.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyrimidine-5-carboxylate
CID 168708485
methyl 5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-6-(methylamino)pyridine-3-carboxylate
CID 168696363
methyl 5-bromo-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168696387
methyl 4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-iodobenzoate
CID 168696403
methyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168696475
methyl 4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-cyanobenzoate
CID 168696400
1-(4-amino-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696634
methyl 2-amino-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)benzoate
CID 168696431
1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696979
1-(5-iodopyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691970
1-(1,3-oxazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698612
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylate?
The IUPAC name of methyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylate (CID 168696464) is methyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylate is COC(=O)c1cnc(N2CC(C(N)=O)CC2=O)nc1.
What is the InChIKey of methyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylate?
The InChIKey is RKGQJVPTYSHFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-19-10(18)7-3-13-11(14-4-7)15-5-6(9(12)17)2-8(15)16/h3-4,6H,2,5H2,1H3,(H2,12,17).
What are the key properties of methyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylate?
methyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylate has a molecular weight of 264.24 g/mol, XLogP of -0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 168696464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).