methyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate

C13H16N2O3 — CID 168693214

IUPACmethyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1cccnc1N1CC(C(=O)OC)CC1=O
InChIInChI=1S/C13H16N2O3/c1-3-9-5-4-6-14-12(9)15-8-10(7-11(15)16)13(17)18-2/h4-6,10H,3,7-8H2,1-2H3
InChIKeyGZULUBISRWJDIL-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.17
Rot. Bonds3

About methyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168693214) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168693214
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1cccnc1N1CC(C(=O)OC)CC1=O
InChIInChI=1S/C13H16N2O3/c1-3-9-5-4-6-14-12(9)15-8-10(7-11(15)16)13(17)18-2/h4-6,10H,3,7-8H2,1-2H3
InChIKeyGZULUBISRWJDIL-UHFFFAOYSA-N
XLogP1.17
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-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 1-(3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694996
methyl 1-(2-iodo-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168695320
1-(3-ethyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168708315
1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690786
1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711290
methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate
CID 50873886
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate
CID 168695333
methyl 1-isoquinolin-8-yl-5-oxopyrrolidine-3-carboxylate
CID 168695069
methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
methyl 1-(2-methoxypyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693538
methyl 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695356

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate (CID 168693214) is methyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate is CCc1cccnc1N1CC(C(=O)OC)CC1=O.
What is the InChIKey of methyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is GZULUBISRWJDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-9-5-4-6-14-12(9)15-8-10(7-11(15)16)13(17)18-2/h4-6,10H,3,7-8H2,1-2H3.
What are the key properties of methyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168693214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).