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

C14H15NO4 — CID 62933968

IUPAC2-[2-(4-methyl-2,6-dioxopiperidin-1-yl)phenyl]acetic acid
SMILESCC1CC(=O)N(c2ccccc2CC(=O)O)C(=O)C1
InChIInChI=1S/C14H15NO4/c1-9-6-12(16)15(13(17)7-9)11-5-3-2-4-10(11)8-14(18)19/h2-5,9H,6-8H2,1H3,(H,18,19)
InChIKeyXWBPNCAIXKEJJR-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.60
Rot. Bonds3

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

2-[2-(4-methyl-2,6-dioxopiperidin-1-yl)phenyl]acetic acid (PubChem CID 62933968) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[2-(4-methyl-2,6-dioxopiperidin-1-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methyl-2,6-dioxopiperidin-1-yl)phenyl]acetic acid
PubChem CID62933968
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-[2-(4-methyl-2,6-dioxopiperidin-1-yl)phenyl]acetic acid
SMILESCC1CC(=O)N(c2ccccc2CC(=O)O)C(=O)C1
InChIInChI=1S/C14H15NO4/c1-9-6-12(16)15(13(17)7-9)11-5-3-2-4-10(11)8-14(18)19/h2-5,9H,6-8H2,1H3,(H,18,19)
InChIKeyXWBPNCAIXKEJJR-UHFFFAOYSA-N
XLogP1.60
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(hydroxymethyl)phenyl]-4-methylpiperidine-2,6-dione
CID 62934174
2-[2-(2,7-dioxoazepan-1-yl)phenyl]acetic acid
CID 62534780
2-[2-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]phenyl]acetic acid
CID 81318118
1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 17035334
1-[2-(aminomethyl)phenyl]-3-methylpyrrolidine-2,5-dione
CID 61038416
3-[2-(3,5-dioxomorpholin-4-yl)phenyl]propanoic acid
CID 107272642
3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid
CID 114007858
1-[(3S)-1-(2-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 27818551
1-(2-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302568
2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetic acid
CID 65345446
5-methoxy-2-(4-methyl-2,6-dioxopiperidin-1-yl)benzoic acid
CID 115411273
2-[4-(3-methyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetic acid
CID 54905077

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-2,6-dioxopiperidin-1-yl)phenyl]acetic acid?
The IUPAC name of 2-[2-(4-methyl-2,6-dioxopiperidin-1-yl)phenyl]acetic acid (CID 62933968) is 2-[2-(4-methyl-2,6-dioxopiperidin-1-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(4-methyl-2,6-dioxopiperidin-1-yl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(4-methyl-2,6-dioxopiperidin-1-yl)phenyl]acetic acid is CC1CC(=O)N(c2ccccc2CC(=O)O)C(=O)C1.
What is the InChIKey of 2-[2-(4-methyl-2,6-dioxopiperidin-1-yl)phenyl]acetic acid?
The InChIKey is XWBPNCAIXKEJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9-6-12(16)15(13(17)7-9)11-5-3-2-4-10(11)8-14(18)19/h2-5,9H,6-8H2,1H3,(H,18,19).
What are the key properties of 2-[2-(4-methyl-2,6-dioxopiperidin-1-yl)phenyl]acetic acid?
2-[2-(4-methyl-2,6-dioxopiperidin-1-yl)phenyl]acetic acid has a molecular weight of 261.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-2,6-dioxopiperidin-1-yl)phenyl]acetic acid is sourced from PubChem (CID 62933968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).