2-methyl-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid

C12H13NO4 — CID 67487822

IUPAC2-methyl-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid
SMILESCc1c(OC2CCNC2=O)cccc1C(=O)O
InChIInChI=1S/C12H13NO4/c1-7-8(12(15)16)3-2-4-9(7)17-10-5-6-13-11(10)14/h2-4,10H,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyVFOLPAMQMQSVAU-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.96
Rot. Bonds3

About 2-methyl-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid

2-methyl-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid (PubChem CID 67487822) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-methyl-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid
PubChem CID67487822
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-methyl-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid
SMILESCc1c(OC2CCNC2=O)cccc1C(=O)O
InChIInChI=1S/C12H13NO4/c1-7-8(12(15)16)3-2-4-9(7)17-10-5-6-13-11(10)14/h2-4,10H,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyVFOLPAMQMQSVAU-UHFFFAOYSA-N
XLogP0.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-acetylphenoxy)pyrrolidin-2-one
CID 117051792
methyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate
CID 117053862
2-(2-oxopyrrolidin-3-yl)oxypyridine-3-carboxylic acid
CID 117096496
3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
CID 82827360
2-chloro-5-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid
CID 126586248
3-(2-cyclopropylethoxy)-2-methylbenzoic acid
CID 82827361
3-acetyloxy-2-methylbenzoic acid
CID 3798557
2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 69362108
3-acetyloxy-2-methylbenzoic acid;hydrochloride
CID 172770028
bicyclo[1.1.0]butane;2-methylbenzene-1,3-dicarboxylic acid
CID 174778770
methyl 3-methoxy-4-(2-oxopyrrolidin-3-yl)oxybenzoate
CID 117053316
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid?
The IUPAC name of 2-methyl-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid (CID 67487822) is 2-methyl-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid.
What is the SMILES notation for 2-methyl-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid?
The canonical SMILES for 2-methyl-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid is Cc1c(OC2CCNC2=O)cccc1C(=O)O.
What is the InChIKey of 2-methyl-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid?
The InChIKey is VFOLPAMQMQSVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-7-8(12(15)16)3-2-4-9(7)17-10-5-6-13-11(10)14/h2-4,10H,5-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-methyl-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid?
2-methyl-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid has a molecular weight of 235.24 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid is sourced from PubChem (CID 67487822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).