methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate

C13H16N2O4 — CID 43423446

IUPACmethyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cccnc1OC
InChIInChI=1S/C13H16N2O4/c1-18-11-9(5-3-7-14-11)12(16)15-8-4-6-10(15)13(17)19-2/h3,5,7,10H,4,6,8H2,1-2H3
InChIKeyIMETVZPGDJCDSM-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.87
Rot. Bonds3

About methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 43423446) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID43423446
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cccnc1OC
InChIInChI=1S/C13H16N2O4/c1-18-11-9(5-3-7-14-11)12(16)15-8-4-6-10(15)13(17)19-2/h3,5,7,10H,4,6,8H2,1-2H3
InChIKeyIMETVZPGDJCDSM-UHFFFAOYSA-N
XLogP0.87
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate
CID 78925496
methyl (2S)-1-(2-cyanopyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 134845489
methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280081
1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 75415776
methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate
CID 61377854
methyl 1-[2-(propan-2-ylamino)benzoyl]pyrrolidine-2-carboxylate
CID 63107678
(2-methoxy-3-pyridinyl)-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 56790980
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate
CID 62298741
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 43410027
(2R)-N-[3-(3-methoxyphenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxamide
CID 42393535
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 102737995

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate (CID 43423446) is methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1cccnc1OC.
What is the InChIKey of methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is IMETVZPGDJCDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-18-11-9(5-3-7-14-11)12(16)15-8-4-6-10(15)13(17)19-2/h3,5,7,10H,4,6,8H2,1-2H3.
What are the key properties of methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 43423446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).