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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Related Compounds

(R)-3-(Pyrrolidin-2-ylmethoxy)pyridine
CID 10702468
1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-(pyridin-2-yloxy)pyrrolidin-1-yl)ethanone
CID 44598903
(4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(pyridin-2-yloxy)pyrrolidin-2-yl)methanone
CID 46888328
(2S,4S)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylic acid
CID 54581821
2-[(1-Methylpyrrolidin-3-yl)oxy]pyridine
CID 18723019
2-(Pyrrolidin-3-yloxy)pyridine
CID 18337160
(2-Furylmethyl)(2-(2-pyridyloxy)ethyl)amine
CID 45259124
5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 51082730
(2S,4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198982
[3-(dimethylamino)-4-pyridin-2-yloxybutyl] N,N-dimethylcarbamate
CID 122189555
N-Methyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
CID 86820400
(2-Furylmethyl)(3-(2-pyridyloxy)propyl)amine
CID 45259126

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).