methyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate

C12H16N2O3 — CID 57169816

IUPACmethyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate
SMILESCOC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C
InChIInChI=1S/C12H16N2O3/c1-9-6-11(8-14(9)12(15)16-2)17-10-4-3-5-13-7-10/h3-5,7,9,11H,6,8H2,1-2H3/t9-,11+/m1/s1
InChIKeyLKDARIGKNZSSQQ-KOLCDFICSA-N
MW236.27 g/mol
LogP1.69
Rot. Bonds2

About methyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate

methyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate (PubChem CID 57169816) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate
PubChem CID57169816
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate
SMILESCOC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C
InChIInChI=1S/C12H16N2O3/c1-9-6-11(8-14(9)12(15)16-2)17-10-4-3-5-13-7-10/h3-5,7,9,11H,6,8H2,1-2H3/t9-,11+/m1/s1
InChIKeyLKDARIGKNZSSQQ-KOLCDFICSA-N
XLogP1.69
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxylic acid
CID 24902608
methyl (2R,4R)-4-[(3-ethenyl-2-pyridinyl)oxy]-2-methylpyrrolidine-1-carboxylate
CID 91072621
(2S,4S)-1-(cyclopentanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198738
(2S,4S)-1-(cyclobutanecarbonyl)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198721
methyl 4-pyridin-3-yloxycyclohexane-1-carboxylate
CID 67421433
(2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197036
(2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197066
(2S,4S)-N-methyl-1-(3-phenylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198752
[(2S,4S)-1-(4-methoxybenzoyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198878
methyl (2R,4S)-2-methyl-4-[4-(phenylmethoxycarbonylaminomethyl)phenoxy]pyrrolidine-1-carboxylate
CID 57135918
(2S,4S)-1-(cyclohexanecarbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198800
(2R,4S)-2-N-(2-methoxyethyl)-1-N-phenyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197058

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate?
The IUPAC name of methyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate (CID 57169816) is methyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate?
The canonical SMILES for methyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate is COC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C.
What is the InChIKey of methyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate?
The InChIKey is LKDARIGKNZSSQQ-KOLCDFICSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-6-11(8-14(9)12(15)16-2)17-10-4-3-5-13-7-10/h3-5,7,9,11H,6,8H2,1-2H3/t9-,11+/m1/s1.
What are the key properties of methyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate?
methyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 57169816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).