methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate

C13H18N2O2 — CID 94335033

IUPACmethyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1CCc1ccccn1
InChIInChI=1S/C13H18N2O2/c1-17-13(16)12-6-4-9-15(12)10-7-11-5-2-3-8-14-11/h2-3,5,8,12H,4,6-7,9-10H2,1H3/t12-/m1/s1
InChIKeySAYXUJMLSIUSBF-GFCCVEGCSA-N
MW234.30 g/mol
LogP1.26
Rot. Bonds4

About methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate

methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate (PubChem CID 94335033) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate
PubChem CID94335033
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namemethyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1CCc1ccccn1
InChIInChI=1S/C13H18N2O2/c1-17-13(16)12-6-4-9-15(12)10-7-11-5-2-3-8-14-11/h2-3,5,8,12H,4,6-7,9-10H2,1H3/t12-/m1/s1
InChIKeySAYXUJMLSIUSBF-GFCCVEGCSA-N
XLogP1.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-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

1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone
CID 63845672
N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 47027276
methyl 1-(2-pyridin-2-ylethylsulfonyl)pyrrolidine-2-carboxylate
CID 60865617
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
1-[(2R)-2-[(2S)-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95613097
ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 62028172
methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 1-(2-phenylethyl)azetidine-2-carboxylate
CID 4196688
methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 55075318
methyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate
CID 71861442
methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate
CID 62028229

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate (CID 94335033) is methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate is COC(=O)[C@H]1CCCN1CCc1ccccn1.
What is the InChIKey of methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate?
The InChIKey is SAYXUJMLSIUSBF-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-13(16)12-6-4-9-15(12)10-7-11-5-2-3-8-14-11/h2-3,5,8,12H,4,6-7,9-10H2,1H3/t12-/m1/s1.
What are the key properties of methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate?
methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 94335033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).