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

C12H14N2O4 — CID 168662324

IUPACmethyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1N1CC(CO)CC1=O
InChIInChI=1S/C12H14N2O4/c1-18-12(17)9-2-3-13-5-10(9)14-6-8(7-15)4-11(14)16/h2-3,5,8,15H,4,6-7H2,1H3
InChIKeyMZATZUCTXNRIPD-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.21
Rot. Bonds3

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

methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate (PubChem CID 168662324) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate
PubChem CID168662324
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Namemethyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1N1CC(CO)CC1=O
InChIInChI=1S/C12H14N2O4/c1-18-12(17)9-2-3-13-5-10(9)14-6-8(7-15)4-11(14)16/h2-3,5,8,15H,4,6-7H2,1H3
InChIKeyMZATZUCTXNRIPD-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

3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 168663775
methyl 4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate
CID 168504056
methyl 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate
CID 168662940
methyl 4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate
CID 168687699
ethyl 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate
CID 168693143
ethyl 3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate
CID 168675341
methyl 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate
CID 168702204
ethyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate
CID 168684151
methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methoxybenzoate
CID 168662302
methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate
CID 168662305
methyl 2-chloro-5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168662286
methyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83726248

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate (CID 168662324) is methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate is COC(=O)c1ccncc1N1CC(CO)CC1=O.
What is the InChIKey of methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate?
The InChIKey is MZATZUCTXNRIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-18-12(17)9-2-3-13-5-10(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 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate?
methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-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 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate is sourced from PubChem (CID 168662324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).