methyl (2S,4R)-4-pyridin-2-yloxypyrrolidine-2-carboxylate

C11H14N2O3 — CID 24902885

IUPACmethyl (2S,4R)-4-pyridin-2-yloxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](Oc2ccccn2)CN1
InChIInChI=1S/C11H14N2O3/c1-15-11(14)9-6-8(7-13-9)16-10-4-2-3-5-12-10/h2-5,8-9,13H,6-7H2,1H3/t8-,9+/m1/s1
InChIKeyMOMHGCLEPKQNGY-BDAKNGLRSA-N
MW222.24 g/mol
LogP0.36
Rot. Bonds3

About methyl (2S,4R)-4-pyridin-2-yloxypyrrolidine-2-carboxylate

methyl (2S,4R)-4-pyridin-2-yloxypyrrolidine-2-carboxylate (PubChem CID 24902885) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl (2S,4R)-4-pyridin-2-yloxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-pyridin-2-yloxypyrrolidine-2-carboxylate
PubChem CID24902885
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl (2S,4R)-4-pyridin-2-yloxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](Oc2ccccn2)CN1
InChIInChI=1S/C11H14N2O3/c1-15-11(14)9-6-8(7-13-9)16-10-4-2-3-5-12-10/h2-5,8-9,13H,6-7H2,1H3/t8-,9+/m1/s1
InChIKeyMOMHGCLEPKQNGY-BDAKNGLRSA-N
XLogP0.36
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-pyridin-2-yloxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-4-pyridin-2-yloxypyrrolidine-2-carboxylate (CID 24902885) is methyl (2S,4R)-4-pyridin-2-yloxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-pyridin-2-yloxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-pyridin-2-yloxypyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](Oc2ccccn2)CN1.
What is the InChIKey of methyl (2S,4R)-4-pyridin-2-yloxypyrrolidine-2-carboxylate?
The InChIKey is MOMHGCLEPKQNGY-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-15-11(14)9-6-8(7-13-9)16-10-4-2-3-5-12-10/h2-5,8-9,13H,6-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of methyl (2S,4R)-4-pyridin-2-yloxypyrrolidine-2-carboxylate?
methyl (2S,4R)-4-pyridin-2-yloxypyrrolidine-2-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 0.36, 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-pyridin-2-yloxypyrrolidine-2-carboxylate is sourced from PubChem (CID 24902885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).