5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid

C13H15NO4 — CID 115411659

IUPAC5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid
SMILESCOc1ccc(N2CCCCC2=O)c(C(=O)O)c1
InChIInChI=1S/C13H15NO4/c1-18-9-5-6-11(10(8-9)13(16)17)14-7-3-2-4-12(14)15/h5-6,8H,2-4,7H2,1H3,(H,16,17)
InChIKeyPMZIXYGUCQYUFP-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.91
Rot. Bonds3

About 5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid

5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid (PubChem CID 115411659) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid
PubChem CID115411659
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid
SMILESCOc1ccc(N2CCCCC2=O)c(C(=O)O)c1
InChIInChI=1S/C13H15NO4/c1-18-9-5-6-11(10(8-9)13(16)17)14-7-3-2-4-12(14)15/h5-6,8H,2-4,7H2,1H3,(H,16,17)
InChIKeyPMZIXYGUCQYUFP-UHFFFAOYSA-N
XLogP1.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid
CID 115411662
5-amino-2-(2-oxopiperidin-1-yl)benzoic acid
CID 63116213
5-methoxy-2-piperidin-1-ylbenzoic acid
CID 70528238
1-(4-methoxy-2-methylphenyl)pyrrolidin-2-one
CID 25155815
5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid
CID 16772914
5-methoxy-2-(4-methyl-2,6-dioxopiperidin-1-yl)benzoic acid
CID 115411273
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
2,4-dimethoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686728
ethyl 5-amino-2-(2-oxopiperidin-1-yl)benzoate
CID 57185180
methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate
CID 53419638
1-(2-amino-4-methoxyphenyl)azetidin-2-one
CID 107342099
(2,5-dimethoxyphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9134704

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid?
The IUPAC name of 5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid (CID 115411659) is 5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid.
What is the SMILES notation for 5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid?
The canonical SMILES for 5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid is COc1ccc(N2CCCCC2=O)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid?
The InChIKey is PMZIXYGUCQYUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-18-9-5-6-11(10(8-9)13(16)17)14-7-3-2-4-12(14)15/h5-6,8H,2-4,7H2,1H3,(H,16,17).
What are the key properties of 5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid?
5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid has a molecular weight of 249.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid is sourced from PubChem (CID 115411659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).