methyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate

C13H14N2O4 — CID 101432816

IUPACmethyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C(=O)c1cccnc1
InChIInChI=1S/C13H14N2O4/c1-19-13(18)10-5-3-7-15(10)12(17)11(16)9-4-2-6-14-8-9/h2,4,6,8,10H,3,5,7H2,1H3
InChIKeyVPQQWROAMTYVBS-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.43
Rot. Bonds3

About methyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate

methyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate (PubChem CID 101432816) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate
PubChem CID101432816
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Namemethyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C(=O)c1cccnc1
InChIInChI=1S/C13H14N2O4/c1-19-13(18)10-5-3-7-15(10)12(17)11(16)9-4-2-6-14-8-9/h2,4,6,8,10H,3,5,7H2,1H3
InChIKeyVPQQWROAMTYVBS-UHFFFAOYSA-N
XLogP0.43
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
tert-butyl (2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 10564407
methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 133137955
methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate
CID 96706511
methyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783659
methyl (2R)-1-(pyridazine-4-carbonyl)piperidine-2-carboxylate
CID 103867070
methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate
CID 62298741
methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate
CID 104626640
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione
CID 86285047
lithium;hydroperoxymethane;methyl (2S)-1-(2-oxo-2-phenylacetyl)azetidine-2-carboxylate;(2S)-1-(2-oxo-2-phenylacetyl)azetidine-2-carboxylic acid;hydroxide
CID 158073618

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate (CID 101432816) is methyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)C(=O)c1cccnc1.
What is the InChIKey of methyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate?
The InChIKey is VPQQWROAMTYVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-19-13(18)10-5-3-7-15(10)12(17)11(16)9-4-2-6-14-8-9/h2,4,6,8,10H,3,5,7H2,1H3.
What are the key properties of methyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate?
methyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate has a molecular weight of 262.26 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 101432816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).