5-methoxy-2-(4-methyl-2,6-dioxopiperidin-1-yl)benzoic acid

C14H15NO5 — CID 115411273

IUPAC5-methoxy-2-(4-methyl-2,6-dioxopiperidin-1-yl)benzoic acid
SMILESCOc1ccc(N2C(=O)CC(C)CC2=O)c(C(=O)O)c1
InChIInChI=1S/C14H15NO5/c1-8-5-12(16)15(13(17)6-8)11-4-3-9(20-2)7-10(11)14(18)19/h3-4,7-8H,5-6H2,1-2H3,(H,18,19)
InChIKeyFCKHZHNZSMUSTB-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.68
Rot. Bonds3

About 5-methoxy-2-(4-methyl-2,6-dioxopiperidin-1-yl)benzoic acid

5-methoxy-2-(4-methyl-2,6-dioxopiperidin-1-yl)benzoic acid (PubChem CID 115411273) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-methoxy-2-(4-methyl-2,6-dioxopiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-(4-methyl-2,6-dioxopiperidin-1-yl)benzoic acid
PubChem CID115411273
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name5-methoxy-2-(4-methyl-2,6-dioxopiperidin-1-yl)benzoic acid
SMILESCOc1ccc(N2C(=O)CC(C)CC2=O)c(C(=O)O)c1
InChIInChI=1S/C14H15NO5/c1-8-5-12(16)15(13(17)6-8)11-4-3-9(20-2)7-10(11)14(18)19/h3-4,7-8H,5-6H2,1-2H3,(H,18,19)
InChIKeyFCKHZHNZSMUSTB-UHFFFAOYSA-N
XLogP1.68
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid
CID 113305090
5-methoxy-2-piperidin-1-ylbenzoic acid
CID 70528238
5-methoxy-2-(3-methyl-2,5-dioxopyrrol-1-yl)benzoic acid
CID 115411271
5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid
CID 115411659
4-methoxy-2-(4-methylazepan-1-yl)benzoic acid
CID 81309603
2-(4-methyl-2,6-dioxopiperidin-1-yl)-4-nitrobenzoic acid
CID 63110711
CID 171375610
CID 171375610
2-[(3R)-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid
CID 2242141
2-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetic acid
CID 43827010
1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone
CID 117338408
5-methoxy-2-(3-methylpyrazol-1-yl)benzoic acid
CID 56754647
methyl 2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methoxybenzoate
CID 168507337

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-methyl-2,6-dioxopiperidin-1-yl)benzoic acid?
The IUPAC name of 5-methoxy-2-(4-methyl-2,6-dioxopiperidin-1-yl)benzoic acid (CID 115411273) is 5-methoxy-2-(4-methyl-2,6-dioxopiperidin-1-yl)benzoic acid.
What is the SMILES notation for 5-methoxy-2-(4-methyl-2,6-dioxopiperidin-1-yl)benzoic acid?
The canonical SMILES for 5-methoxy-2-(4-methyl-2,6-dioxopiperidin-1-yl)benzoic acid is COc1ccc(N2C(=O)CC(C)CC2=O)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-(4-methyl-2,6-dioxopiperidin-1-yl)benzoic acid?
The InChIKey is FCKHZHNZSMUSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-8-5-12(16)15(13(17)6-8)11-4-3-9(20-2)7-10(11)14(18)19/h3-4,7-8H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 5-methoxy-2-(4-methyl-2,6-dioxopiperidin-1-yl)benzoic acid?
5-methoxy-2-(4-methyl-2,6-dioxopiperidin-1-yl)benzoic acid has a molecular weight of 277.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-methyl-2,6-dioxopiperidin-1-yl)benzoic acid is sourced from PubChem (CID 115411273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).