[(3R)-1-methylpyrrolidin-3-yl] pyridine-3-carboxylate

C11H14N2O2 — CID 152529548

IUPAC[(3R)-1-methylpyrrolidin-3-yl] pyridine-3-carboxylate
SMILESCN1CC[C@@H](OC(=O)c2cccnc2)C1
InChIInChI=1S/C11H14N2O2/c1-13-6-4-10(8-13)15-11(14)9-3-2-5-12-7-9/h2-3,5,7,10H,4,6,8H2,1H3/t10-/m1/s1
InChIKeyYJGANGATIMJVGC-SNVBAGLBSA-N
MW206.25 g/mol
LogP0.94
Rot. Bonds2

About [(3R)-1-methylpyrrolidin-3-yl] pyridine-3-carboxylate

[(3R)-1-methylpyrrolidin-3-yl] pyridine-3-carboxylate (PubChem CID 152529548) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is [(3R)-1-methylpyrrolidin-3-yl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[(3R)-1-methylpyrrolidin-3-yl] pyridine-3-carboxylate
PubChem CID152529548
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name[(3R)-1-methylpyrrolidin-3-yl] pyridine-3-carboxylate
SMILESCN1CC[C@@H](OC(=O)c2cccnc2)C1
InChIInChI=1S/C11H14N2O2/c1-13-6-4-10(8-13)15-11(14)9-3-2-5-12-7-9/h2-3,5,7,10H,4,6,8H2,1H3/t10-/m1/s1
InChIKeyYJGANGATIMJVGC-SNVBAGLBSA-N
XLogP0.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] pyridine-3-carboxylate
CID 46226602
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
(1-methylpiperidin-3-yl) 5-bromopyridine-3-carboxylate
CID 4145883
(1-methylpiperidin-4-yl) 3-methylbenzoate chloride
CID 53347537
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
(1-methylpyrrolidin-3-yl) 3-amino-4-fluorobenzoate
CID 112741420
[10-(pyridine-3-carbonyloxy)-9-tricyclo[6.2.1.02,7]undecanyl] pyridine-3-carboxylate
CID 170673981
[(1R,5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate;hydrate
CID 67947071
(111C)methyl pyridine-3-carboxylate
CID 11309537
[(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate
CID 844358
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
3-imino-N-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylpropanamide
CID 143564697

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-methylpyrrolidin-3-yl] pyridine-3-carboxylate?
The IUPAC name of [(3R)-1-methylpyrrolidin-3-yl] pyridine-3-carboxylate (CID 152529548) is [(3R)-1-methylpyrrolidin-3-yl] pyridine-3-carboxylate.
What is the SMILES notation for [(3R)-1-methylpyrrolidin-3-yl] pyridine-3-carboxylate?
The canonical SMILES for [(3R)-1-methylpyrrolidin-3-yl] pyridine-3-carboxylate is CN1CC[C@@H](OC(=O)c2cccnc2)C1.
What is the InChIKey of [(3R)-1-methylpyrrolidin-3-yl] pyridine-3-carboxylate?
The InChIKey is YJGANGATIMJVGC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13-6-4-10(8-13)15-11(14)9-3-2-5-12-7-9/h2-3,5,7,10H,4,6,8H2,1H3/t10-/m1/s1.
What are the key properties of [(3R)-1-methylpyrrolidin-3-yl] pyridine-3-carboxylate?
[(3R)-1-methylpyrrolidin-3-yl] pyridine-3-carboxylate has a molecular weight of 206.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-methylpyrrolidin-3-yl] pyridine-3-carboxylate is sourced from PubChem (CID 152529548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).