methyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate

C11H13N3O4 — CID 168693538

IUPACmethyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccnc(OC)n2)C1
InChIInChI=1S/C11H13N3O4/c1-17-10(16)7-5-9(15)14(6-7)8-3-4-12-11(13-8)18-2/h3-4,7H,5-6H2,1-2H3
InChIKeyWOBQKWKNFOVSPT-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.01
Rot. Bonds3

About methyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168693538) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is methyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168693538
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Namemethyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccnc(OC)n2)C1
InChIInChI=1S/C11H13N3O4/c1-17-10(16)7-5-9(15)14(6-7)8-3-4-12-11(13-8)18-2/h3-4,7H,5-6H2,1-2H3
InChIKeyWOBQKWKNFOVSPT-UHFFFAOYSA-N
XLogP0.01
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl 1-(2-iodo-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168695320
methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate
CID 168695333
methyl 1-(4-amino-2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694919
methyl 1-(5-bromo-6-chloropyrazin-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168694974
methyl 1-(3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694996
methyl 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694771
methyl 1-(4,6-diaminopyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695409
methyl 1-(5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693953
methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693768
methyl 1-(6-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694752
methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate
CID 50873886

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate (CID 168693538) is methyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2ccnc(OC)n2)C1.
What is the InChIKey of methyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is WOBQKWKNFOVSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-17-10(16)7-5-9(15)14(6-7)8-3-4-12-11(13-8)18-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of methyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 251.24 g/mol, XLogP of 0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168693538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).