methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate

C12H16N2O3 — CID 113337632

IUPACmethyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CC[C@H](O)C2)nc1C
InChIInChI=1S/C12H16N2O3/c1-8-10(12(16)17-2)3-4-11(13-8)14-6-5-9(15)7-14/h3-4,9,15H,5-7H2,1-2H3/t9-/m0/s1
InChIKeyMEBMGQWMFOLXKQ-VIFPVBQESA-N
MW236.27 g/mol
LogP0.75
Rot. Bonds2

About methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate

methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate (PubChem CID 113337632) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
PubChem CID113337632
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CC[C@H](O)C2)nc1C
InChIInChI=1S/C12H16N2O3/c1-8-10(12(16)17-2)3-4-11(13-8)14-6-5-9(15)7-14/h3-4,9,15H,5-7H2,1-2H3/t9-/m0/s1
InChIKeyMEBMGQWMFOLXKQ-VIFPVBQESA-N
XLogP0.75
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 102986351
methyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate
CID 133420753
methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate
CID 133465271
methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate
CID 133421229
methyl 2-amino-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylate
CID 142386891
dimethyl 6-(4-hydroxypiperidin-1-yl)pyridine-2,3-dicarboxylate;ethane
CID 142386912
methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate
CID 133391396
methyl 2-methyl-6-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylate
CID 133419030
methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate
CID 133432159
methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 133448398
methyl 6-(1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-methylpyridine-3-carboxylate
CID 133420760
methyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
CID 100685192

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate (CID 113337632) is methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(N2CC[C@H](O)C2)nc1C.
What is the InChIKey of methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate?
The InChIKey is MEBMGQWMFOLXKQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-10(12(16)17-2)3-4-11(13-8)14-6-5-9(15)7-14/h3-4,9,15H,5-7H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate?
methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 113337632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).