methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate

C12H16N2O3 — CID 112632795

IUPACmethyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1Cc1ccccn1
InChIInChI=1S/C12H16N2O3/c1-17-12(16)11-6-10(15)8-14(11)7-9-4-2-3-5-13-9/h2-5,10-11,15H,6-8H2,1H3
InChIKeyYQNIGMZORVLFAV-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.19
Rot. Bonds3

About methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate (PubChem CID 112632795) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
PubChem CID112632795
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1Cc1ccccn1
InChIInChI=1S/C12H16N2O3/c1-17-12(16)11-6-10(15)8-14(11)7-9-4-2-3-5-13-9/h2-5,10-11,15H,6-8H2,1H3
InChIKeyYQNIGMZORVLFAV-UHFFFAOYSA-N
XLogP0.19
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-hydroxy-1-(pyridin-2-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate (CID 112632795) is methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1Cc1ccccn1.
What is the InChIKey of methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate?
The InChIKey is YQNIGMZORVLFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-12(16)11-6-10(15)8-14(11)7-9-4-2-3-5-13-9/h2-5,10-11,15H,6-8H2,1H3.
What are the key properties of methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 112632795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).