2-(2,6-dioxopiperidin-3-yl)acetic acid

C7H9NO4 — CID 115013816

IUPAC2-(2,6-dioxopiperidin-3-yl)acetic acid
SMILESO=C(O)CC1CCC(=O)NC1=O
InChIInChI=1S/C7H9NO4/c9-5-2-1-4(3-6(10)11)7(12)8-5/h4H,1-3H2,(H,10,11)(H,8,9,12)
InChIKeyODNHMNRAYLJHOH-UHFFFAOYSA-N
MW171.15 g/mol
LogP-0.49
Rot. Bonds2

About 2-(2,6-dioxopiperidin-3-yl)acetic acid

2-(2,6-dioxopiperidin-3-yl)acetic acid (PubChem CID 115013816) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)acetic acid
PubChem CID115013816
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name2-(2,6-dioxopiperidin-3-yl)acetic acid
SMILESO=C(O)CC1CCC(=O)NC1=O
InChIInChI=1S/C7H9NO4/c9-5-2-1-4(3-6(10)11)7(12)8-5/h4H,1-3H2,(H,10,11)(H,8,9,12)
InChIKeyODNHMNRAYLJHOH-UHFFFAOYSA-N
XLogP-0.49
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dioxo-4-piperidinecarboxylic acid
CID 237026
2-(2-Oxopiperidin-3-yl)acetic acid
CID 22097766
Hydroxyethylglutarimide
CID 54508618
2-[(3R)-2-oxopiperidin-3-yl]acetic acid
CID 22849987
Tert-butyl 2-(2,6-dioxopiperidin-3-yl)acetate
CID 132117525
Methyl 2-(2,6-dioxopiperidin-3-yl)acetate
CID 138460854
2-(2,6-Dioxopiperidin-3-yl)-6-methylheptanoic acid
CID 176231186
3-(2-Hydroxyethyl)-2,6-dioxopiperidine-4-carboxylic acid
CID 82397360
Methyl 3-(2-hydroxyethyl)-2,6-dioxopiperidine-4-carboxylate
CID 112486567
4-Methyl-2,6-dioxopiperidine-4-carboxylic acid
CID 129925363
Sodium 2-(2,6-dioxopiperidin-3-yl)acetate
CID 129939858
2,2-Dimethyl-6-oxopiperidine-4-carboxylic acid
CID 177800255

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)acetic acid?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)acetic acid (CID 115013816) is 2-(2,6-dioxopiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)acetic acid is O=C(O)CC1CCC(=O)NC1=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)acetic acid?
The InChIKey is ODNHMNRAYLJHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c9-5-2-1-4(3-6(10)11)7(12)8-5/h4H,1-3H2,(H,10,11)(H,8,9,12).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)acetic acid?
2-(2,6-dioxopiperidin-3-yl)acetic acid has a molecular weight of 171.15 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)acetic acid is sourced from PubChem (CID 115013816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).