(3R)-2,6-dioxopiperidine-3-carboxylic acid

C6H7NO4 — CID 92974822

IUPAC(3R)-2,6-dioxopiperidine-3-carboxylic acid
SMILESO=C1CC[C@@H](C(=O)O)C(=O)N1
InChIInChI=1S/C6H7NO4/c8-4-2-1-3(6(10)11)5(9)7-4/h3H,1-2H2,(H,10,11)(H,7,8,9)/t3-/m1/s1
InChIKeyMHCDUOFVNOMAGZ-GSVOUGTGSA-N
MW157.12 g/mol
LogP-0.88
Rot. Bonds1

About (3R)-2,6-dioxopiperidine-3-carboxylic acid

(3R)-2,6-dioxopiperidine-3-carboxylic acid (PubChem CID 92974822) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is (3R)-2,6-dioxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-2,6-dioxopiperidine-3-carboxylic acid
PubChem CID92974822
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name(3R)-2,6-dioxopiperidine-3-carboxylic acid
SMILESO=C1CC[C@@H](C(=O)O)C(=O)N1
InChIInChI=1S/C6H7NO4/c8-4-2-1-3(6(10)11)5(9)7-4/h3H,1-2H2,(H,10,11)(H,7,8,9)/t3-/m1/s1
InChIKeyMHCDUOFVNOMAGZ-GSVOUGTGSA-N
XLogP-0.88
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-buta-1,3-dien-2-ylpiperidine-2,6-dione
CID 177016784
3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione
CID 146327361
(3R)-2-oxopyrrolidine-3-carboxylic acid
CID 92974819
3-(2-methylpropanoyl)pyrrolidine-2,5-dione
CID 68572615
(2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid
CID 76973407
(2S,7S,12S)-5,10,15,20-tetraoxo-1,6,11,16-tetrazacycloicosane-2,7,12,17-tetracarboxylic acid
CID 177496276
N-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide
CID 138460839
3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione
CID 171565227
ethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide
CID 171565054
3-benzoylpyrrolidine-2,5-dione
CID 15178182
3-[2-(2,6-dioxopiperidin-3-yl)ethyl]piperidine-2,6-dione
CID 54373582
5-oxopyrrolidine-2-carboxylic acid;dihydrate
CID 175519070

Frequently Asked Questions

What is the IUPAC name of (3R)-2,6-dioxopiperidine-3-carboxylic acid?
The IUPAC name of (3R)-2,6-dioxopiperidine-3-carboxylic acid (CID 92974822) is (3R)-2,6-dioxopiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-2,6-dioxopiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-2,6-dioxopiperidine-3-carboxylic acid is O=C1CC[C@@H](C(=O)O)C(=O)N1.
What is the InChIKey of (3R)-2,6-dioxopiperidine-3-carboxylic acid?
The InChIKey is MHCDUOFVNOMAGZ-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H7NO4/c8-4-2-1-3(6(10)11)5(9)7-4/h3H,1-2H2,(H,10,11)(H,7,8,9)/t3-/m1/s1.
What are the key properties of (3R)-2,6-dioxopiperidine-3-carboxylic acid?
(3R)-2,6-dioxopiperidine-3-carboxylic acid has a molecular weight of 157.12 g/mol, XLogP of -0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,6-dioxopiperidine-3-carboxylic acid is sourced from PubChem (CID 92974822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).