methyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate

C12H13NO5 — CID 168702194

IUPACmethyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
SMILESCOC(=O)c1ccc(N2CC(O)CC2=O)cc1O
InChIInChI=1S/C12H13NO5/c1-18-12(17)9-3-2-7(4-10(9)15)13-6-8(14)5-11(13)16/h2-4,8,14-15H,5-6H2,1H3
InChIKeyDNEDTAMGZUETGI-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.28
Rot. Bonds2

About methyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate

methyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate (PubChem CID 168702194) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is methyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
PubChem CID168702194
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Namemethyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
SMILESCOC(=O)c1ccc(N2CC(O)CC2=O)cc1O
InChIInChI=1S/C12H13NO5/c1-18-12(17)9-3-2-7(4-10(9)15)13-6-8(14)5-11(13)16/h2-4,8,14-15H,5-6H2,1H3
InChIKeyDNEDTAMGZUETGI-UHFFFAOYSA-N
XLogP0.28
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702189
4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168702485
methyl 2-bromo-4-(4-chloro-2-oxopyrrolidin-1-yl)benzoate
CID 168687685
1-(4-chloro-3-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703378
1-(3-bromo-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690766
methyl 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-nitrobenzoate
CID 168702197
methyl 1-(3-methoxy-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693335
methyl 2-fluoro-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717283
methyl 2-bromo-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717280
methyl 4-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylate
CID 168702204
1-(4-carboxy-3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50873913
(3S)-1-(4-carboxy-3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076115

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of methyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate (CID 168702194) is methyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for methyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for methyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate is COC(=O)c1ccc(N2CC(O)CC2=O)cc1O.
What is the InChIKey of methyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is DNEDTAMGZUETGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c1-18-12(17)9-3-2-7(4-10(9)15)13-6-8(14)5-11(13)16/h2-4,8,14-15H,5-6H2,1H3.
What are the key properties of methyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate?
methyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 251.24 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 168702194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).