methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate

C12H14N2O4 — CID 168662305

IUPACmethyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CC(CO)CC2=O)nc1
InChIInChI=1S/C12H14N2O4/c1-18-12(17)9-2-3-10(13-5-9)14-6-8(7-15)4-11(14)16/h2-3,5,8,15H,4,6-7H2,1H3
InChIKeyLYCDLWLEZBUCMA-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.21
Rot. Bonds3

About methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate

methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate (PubChem CID 168662305) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate
PubChem CID168662305
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Namemethyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CC(CO)CC2=O)nc1
InChIInChI=1S/C12H14N2O4/c1-18-12(17)9-2-3-10(13-5-9)14-6-8(7-15)4-11(14)16/h2-3,5,8,15H,4,6-7H2,1H3
InChIKeyLYCDLWLEZBUCMA-UHFFFAOYSA-N
XLogP0.21
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83726248
4-(hydroxymethyl)-1-[5-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168664287
methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methoxybenzoate
CID 168662302
methyl 3-chloro-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168662293
methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-5-nitropyridine-3-carboxylate
CID 168662345
6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carbonitrile
CID 168663615
6-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 168671622
methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate
CID 168662324
methyl 4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168507353
methyl 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate
CID 168662940
6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 168682617
1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 141116621

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate (CID 168662305) is methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate is COC(=O)c1ccc(N2CC(CO)CC2=O)nc1.
What is the InChIKey of methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate?
The InChIKey is LYCDLWLEZBUCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-18-12(17)9-2-3-10(13-5-9)14-6-8(7-15)4-11(14)16/h2-3,5,8,15H,4,6-7H2,1H3.
What are the key properties of methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate?
methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate has a molecular weight of 250.25 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 168662305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).