methyl 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate

C11H12N2O4 — CID 168702204

IUPACmethyl 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1N1CC(O)CC1=O
InChIInChI=1S/C11H12N2O4/c1-17-11(16)8-5-12-3-2-9(8)13-6-7(14)4-10(13)15/h2-3,5,7,14H,4,6H2,1H3
InChIKeyHHVPRUXSNGJSBF-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.03
Rot. Bonds2

About methyl 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate

methyl 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate (PubChem CID 168702204) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is methyl 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate
PubChem CID168702204
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Namemethyl 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1N1CC(O)CC1=O
InChIInChI=1S/C11H12N2O4/c1-17-11(16)8-5-12-3-2-9(8)13-6-7(14)4-10(13)15/h2-3,5,7,14H,4,6H2,1H3
InChIKeyHHVPRUXSNGJSBF-UHFFFAOYSA-N
XLogP-0.03
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate
CID 168687699
methyl 4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate
CID 168504056
methyl 4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702189
methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate
CID 168662324
methyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702194
methyl 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-nitrobenzoate
CID 168702197
methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693768
methyl 3-amino-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702177
ethyl 3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate
CID 168693143
methyl 3-cyano-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702170
4-hydroxy-1-(2-methoxy-3-pyridinyl)pyrrolidin-2-one
CID 168702386
(3S)-1-(2-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 735284

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate (CID 168702204) is methyl 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate is COC(=O)c1cnccc1N1CC(O)CC1=O.
What is the InChIKey of methyl 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate?
The InChIKey is HHVPRUXSNGJSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-17-11(16)8-5-12-3-2-9(8)13-6-7(14)4-10(13)15/h2-3,5,7,14H,4,6H2,1H3.
What are the key properties of methyl 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate?
methyl 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate has a molecular weight of 236.23 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 168702204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).