methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate

C11H13NO4 — CID 146327520

IUPACmethyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccn([C@H]2CCOC2)c1=O
InChIInChI=1S/C11H13NO4/c1-15-11(14)9-3-2-5-12(10(9)13)8-4-6-16-7-8/h2-3,5,8H,4,6-7H2,1H3/t8-/m0/s1
InChIKeyFRCVQJMBEWORRQ-QMMMGPOBSA-N
MW223.23 g/mol
LogP0.60
Rot. Bonds2

About methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate

methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate (PubChem CID 146327520) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate
PubChem CID146327520
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccn([C@H]2CCOC2)c1=O
InChIInChI=1S/C11H13NO4/c1-15-11(14)9-3-2-5-12(10(9)13)8-4-6-16-7-8/h2-3,5,8H,4,6-7H2,1H3/t8-/m0/s1
InChIKeyFRCVQJMBEWORRQ-QMMMGPOBSA-N
XLogP0.60
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate
CID 139390457
methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate
CID 137450552
methyl 1-[(1S,3S)-3-hydroxycyclohexyl]-2-oxopyridine-3-carboxylate
CID 139373575
methyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate
CID 158924385
methyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate
CID 137449925
methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate
CID 137457337
3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one
CID 129494172
3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one
CID 157368116
methyl 1-[(4R)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylate
CID 137450635
methyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate
CID 137450691
1-[(3S)-oxan-3-yl]-3-propan-2-ylpyridin-2-one
CID 146635158
3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
CID 139373545

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate (CID 146327520) is methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate is COC(=O)c1cccn([C@H]2CCOC2)c1=O.
What is the InChIKey of methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate?
The InChIKey is FRCVQJMBEWORRQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-11(14)9-3-2-5-12(10(9)13)8-4-6-16-7-8/h2-3,5,8H,4,6-7H2,1H3/t8-/m0/s1.
What are the key properties of methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate?
methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate is sourced from PubChem (CID 146327520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).