methyl (2S,4R)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylate

C11H13ClN2O3 — CID 59551162

IUPACmethyl (2S,4R)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](Oc2ccc(Cl)cn2)CN1
InChIInChI=1S/C11H13ClN2O3/c1-16-11(15)9-4-8(6-13-9)17-10-3-2-7(12)5-14-10/h2-3,5,8-9,13H,4,6H2,1H3/t8-,9+/m1/s1
InChIKeyXEAYYCLWMMODNR-BDAKNGLRSA-N
MW256.69 g/mol
LogP1.02
Rot. Bonds3

About methyl (2S,4R)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylate

methyl (2S,4R)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylate (PubChem CID 59551162) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is methyl (2S,4R)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylate
PubChem CID59551162
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Namemethyl (2S,4R)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](Oc2ccc(Cl)cn2)CN1
InChIInChI=1S/C11H13ClN2O3/c1-16-11(15)9-4-8(6-13-9)17-10-3-2-7(12)5-14-10/h2-3,5,8-9,13H,4,6H2,1H3/t8-,9+/m1/s1
InChIKeyXEAYYCLWMMODNR-BDAKNGLRSA-N
XLogP1.02
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S,4R)-4-[(5-chloro-2-pyridinyl)oxy]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 (2S,4R)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylate (CID 59551162) is methyl (2S,4R)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](Oc2ccc(Cl)cn2)CN1.
What is the InChIKey of methyl (2S,4R)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylate?
The InChIKey is XEAYYCLWMMODNR-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-16-11(15)9-4-8(6-13-9)17-10-3-2-7(12)5-14-10/h2-3,5,8-9,13H,4,6H2,1H3/t8-,9+/m1/s1.
What are the key properties of methyl (2S,4R)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylate?
methyl (2S,4R)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylate has a molecular weight of 256.69 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylate is sourced from PubChem (CID 59551162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).