methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate

C12H16N2O2 — CID 142605380

IUPACmethyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCN(Cc2cccnc2)C1
InChIInChI=1S/C12H16N2O2/c1-16-12(15)11-4-6-14(9-11)8-10-3-2-5-13-7-10/h2-3,5,7,11H,4,6,8-9H2,1H3/t11-/m0/s1
InChIKeyWRKYCZOZNRJNFH-NSHDSACASA-N
MW220.27 g/mol
LogP1.08
Rot. Bonds3

About methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate

methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate (PubChem CID 142605380) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
PubChem CID142605380
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCN(Cc2cccnc2)C1
InChIInChI=1S/C12H16N2O2/c1-16-12(15)11-4-6-14(9-11)8-10-3-2-5-13-7-10/h2-3,5,7,11H,4,6,8-9H2,1H3/t11-/m0/s1
InChIKeyWRKYCZOZNRJNFH-NSHDSACASA-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

Analyze methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-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

methyl 1-[(3,5-dimethylphenyl)methyl]pyrrolidine-3-carboxylate
CID 113224754
methyl 1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112631199
methyl 1-[(4-ethylphenyl)methyl]pyrrolidine-3-carboxylate
CID 78992354
methyl 1-[(4-bromophenyl)methyl]pyrrolidine-3-carboxylate
CID 112730681
N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 4614545
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 114510870
methyl 1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-3-carboxylate
CID 112730539
methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 42579837
(6R)-1-acetyl-4-(pyridin-3-ylmethyl)-1,4-diazepane-6-carboxylic acid
CID 95804985
methyl 1-[(2,6-difluorophenyl)methyl]pyrrolidine-3-carboxylate
CID 113345340
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate (CID 142605380) is methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate is COC(=O)[C@H]1CCN(Cc2cccnc2)C1.
What is the InChIKey of methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate?
The InChIKey is WRKYCZOZNRJNFH-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-12(15)11-4-6-14(9-11)8-10-3-2-5-13-7-10/h2-3,5,7,11H,4,6,8-9H2,1H3/t11-/m0/s1.
What are the key properties of methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate?
methyl (3S)-1-(pyridin-3-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 (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 142605380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).