methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate

C11H12N2O3 — CID 50873886

IUPACmethyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2cccnc2)C1
InChIInChI=1S/C11H12N2O3/c1-16-11(15)8-5-10(14)13(7-8)9-3-2-4-12-6-9/h2-4,6,8H,5,7H2,1H3
InChIKeyMEVRDFOKNOPWFC-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.61
Rot. Bonds2

About methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate

methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate (PubChem CID 50873886) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate
PubChem CID50873886
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2cccnc2)C1
InChIInChI=1S/C11H12N2O3/c1-16-11(15)8-5-10(14)13(7-8)9-3-2-4-12-6-9/h2-4,6,8H,5,7H2,1H3
InChIKeyMEVRDFOKNOPWFC-UHFFFAOYSA-N
XLogP0.61
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate
CID 168695333
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl 1-(6-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694752
methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693768
5-oxo-1-pyridin-3-yl-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110684594
methyl 1-(6-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694749
methyl 1-(5-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168695182
methyl 3-[(5-oxo-1-pyridin-3-ylpyrrolidine-3-carbonyl)amino]benzoate
CID 110684590
methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 42579837
methyl 5-oxo-1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-3-carboxylate
CID 50879682
methyl 1-isoquinolin-8-yl-5-oxopyrrolidine-3-carboxylate
CID 168695069
methyl 5-oxo-1-(6-oxo-1-phenylpyridazin-4-yl)pyrrolidine-3-carboxylate
CID 168694036

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate (CID 50873886) is methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2cccnc2)C1.
What is the InChIKey of methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate?
The InChIKey is MEVRDFOKNOPWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-16-11(15)8-5-10(14)13(7-8)9-3-2-4-12-6-9/h2-4,6,8H,5,7H2,1H3.
What are the key properties of methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate?
methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 50873886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).