methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate

C12H16N2O2 — CID 142605385

IUPACmethyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CCN(Cc2ccccn2)C1
InChIInChI=1S/C12H16N2O2/c1-16-12(15)10-5-7-14(8-10)9-11-4-2-3-6-13-11/h2-4,6,10H,5,7-9H2,1H3/t10-/m1/s1
InChIKeyURGFFXOUYNZESJ-SNVBAGLBSA-N
MW220.27 g/mol
LogP1.08
Rot. Bonds3

About methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate

methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate (PubChem CID 142605385) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
PubChem CID142605385
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CCN(Cc2ccccn2)C1
InChIInChI=1S/C12H16N2O2/c1-16-12(15)10-5-7-14(8-10)9-11-4-2-3-6-13-11/h2-4,6,10H,5,7-9H2,1H3/t10-/m1/s1
InChIKeyURGFFXOUYNZESJ-SNVBAGLBSA-N
XLogP1.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380
azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 5116844
methyl 1-[(2-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 25229111
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
methyl 1-[(2,6-difluorophenyl)methyl]pyrrolidine-3-carboxylate
CID 113345340
methyl 1-[(4-amino-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 79245399
methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate
CID 112550259
methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate
CID 103056712
methyl 1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112631199
methyl 1-[(3,5-dimethylphenyl)methyl]pyrrolidine-3-carboxylate
CID 113224754
methyl 1-[(4-ethylphenyl)methyl]pyrrolidine-3-carboxylate
CID 78992354

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate (CID 142605385) is methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate is COC(=O)[C@@H]1CCN(Cc2ccccn2)C1.
What is the InChIKey of methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate?
The InChIKey is URGFFXOUYNZESJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-12(15)10-5-7-14(8-10)9-11-4-2-3-6-13-11/h2-4,6,10H,5,7-9H2,1H3/t10-/m1/s1.
What are the key properties of methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate?
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 142605385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).