2-[4-(4-methyl-2,6-dioxopiperidin-1-yl)phenoxy]acetic acid

C14H15NO5 — CID 63770817

IUPAC2-[4-(4-methyl-2,6-dioxopiperidin-1-yl)phenoxy]acetic acid
SMILESCC1CC(=O)N(c2ccc(OCC(=O)O)cc2)C(=O)C1
InChIInChI=1S/C14H15NO5/c1-9-6-12(16)15(13(17)7-9)10-2-4-11(5-3-10)20-8-14(18)19/h2-5,9H,6-8H2,1H3,(H,18,19)
InChIKeyAMUHESPMRQJPHK-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.44
Rot. Bonds4

About 2-[4-(4-methyl-2,6-dioxopiperidin-1-yl)phenoxy]acetic acid

2-[4-(4-methyl-2,6-dioxopiperidin-1-yl)phenoxy]acetic acid (PubChem CID 63770817) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[4-(4-methyl-2,6-dioxopiperidin-1-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methyl-2,6-dioxopiperidin-1-yl)phenoxy]acetic acid
PubChem CID63770817
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name2-[4-(4-methyl-2,6-dioxopiperidin-1-yl)phenoxy]acetic acid
SMILESCC1CC(=O)N(c2ccc(OCC(=O)O)cc2)C(=O)C1
InChIInChI=1S/C14H15NO5/c1-9-6-12(16)15(13(17)7-9)10-2-4-11(5-3-10)20-8-14(18)19/h2-5,9H,6-8H2,1H3,(H,18,19)
InChIKeyAMUHESPMRQJPHK-UHFFFAOYSA-N
XLogP1.44
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-2,6-dioxopiperidin-1-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(4-methyl-2,6-dioxopiperidin-1-yl)phenoxy]acetic acid (CID 63770817) is 2-[4-(4-methyl-2,6-dioxopiperidin-1-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(4-methyl-2,6-dioxopiperidin-1-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(4-methyl-2,6-dioxopiperidin-1-yl)phenoxy]acetic acid is CC1CC(=O)N(c2ccc(OCC(=O)O)cc2)C(=O)C1.
What is the InChIKey of 2-[4-(4-methyl-2,6-dioxopiperidin-1-yl)phenoxy]acetic acid?
The InChIKey is AMUHESPMRQJPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-9-6-12(16)15(13(17)7-9)10-2-4-11(5-3-10)20-8-14(18)19/h2-5,9H,6-8H2,1H3,(H,18,19).
What are the key properties of 2-[4-(4-methyl-2,6-dioxopiperidin-1-yl)phenoxy]acetic acid?
2-[4-(4-methyl-2,6-dioxopiperidin-1-yl)phenoxy]acetic acid has a molecular weight of 277.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-2,6-dioxopiperidin-1-yl)phenoxy]acetic acid is sourced from PubChem (CID 63770817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).