methyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate

C13H18N2O3 — CID 114198822

IUPACmethyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1CN1CCC(C)(O)C1
InChIInChI=1S/C13H18N2O3/c1-13(17)5-7-15(9-13)8-11-10(12(16)18-2)4-3-6-14-11/h3-4,6,17H,5,7-9H2,1-2H3
InChIKeyJXGZUAKDVSSRCV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.82
Rot. Bonds3

About methyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate

methyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate (PubChem CID 114198822) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate
PubChem CID114198822
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1CN1CCC(C)(O)C1
InChIInChI=1S/C13H18N2O3/c1-13(17)5-7-15(9-13)8-11-10(12(16)18-2)4-3-6-14-11/h3-4,6,17H,5,7-9H2,1-2H3
InChIKeyJXGZUAKDVSSRCV-UHFFFAOYSA-N
XLogP0.82
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate (CID 114198822) is methyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate is COC(=O)c1cccnc1CN1CCC(C)(O)C1.
What is the InChIKey of methyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate?
The InChIKey is JXGZUAKDVSSRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(17)5-7-15(9-13)8-11-10(12(16)18-2)4-3-6-14-11/h3-4,6,17H,5,7-9H2,1-2H3.
What are the key properties of methyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate?
methyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 114198822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).