methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate

C11H14N2O2 — CID 96706511

IUPACmethyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1c1cccnc1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)10-5-3-7-13(10)9-4-2-6-12-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m1/s1
InChIKeyBGFIVJOIQLIGCT-SNVBAGLBSA-N
MW206.25 g/mol
LogP1.22
Rot. Bonds2

About methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate

methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate (PubChem CID 96706511) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate
PubChem CID96706511
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Namemethyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1c1cccnc1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)10-5-3-7-13(10)9-4-2-6-12-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m1/s1
InChIKeyBGFIVJOIQLIGCT-SNVBAGLBSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]benzoic acid
CID 96706561
methyl 1-(6-formyl-3-pyridinyl)pyrrolidine-2-carboxylate
CID 165461124
methyl (2S)-1-(4-methoxyphenyl)pyrrolidine-2-carboxylate
CID 96706526
methyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate
CID 101432816
1-pyridin-3-ylpyrrolidin-2-ol
CID 139888349
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
methyl 1-(3-cyanophenyl)pyrrolidine-2-carboxylate
CID 72637225
methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate
CID 49454499
methyl (2S)-1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]pyrrolidine-2-carboxylate
CID 156866200
methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate
CID 115538344
1-pyridin-3-ylpyrrolidin-2-amine
CID 54403911
methyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate
CID 113368331

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate (CID 96706511) is methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate is COC(=O)[C@H]1CCCN1c1cccnc1.
What is the InChIKey of methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate?
The InChIKey is BGFIVJOIQLIGCT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-11(14)10-5-3-7-13(10)9-4-2-6-12-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m1/s1.
What are the key properties of methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate?
methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate has a molecular weight of 206.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate is sourced from PubChem (CID 96706511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).