1-(5-oxopyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid

C12H16N2O6 — CID 115918284

IUPAC1-(5-oxopyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESO=C1CCC(C(=O)N2CCC(C(=O)O)C(C(=O)O)C2)N1
InChIInChI=1S/C12H16N2O6/c15-9-2-1-8(13-9)10(16)14-4-3-6(11(17)18)7(5-14)12(19)20/h6-8H,1-5H2,(H,13,15)(H,17,18)(H,19,20)
InChIKeyYJSARKNBMNALBG-UHFFFAOYSA-N
MW284.27 g/mol
LogP-1.10
Rot. Bonds3

About 1-(5-oxopyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid

1-(5-oxopyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid (PubChem CID 115918284) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is 1-(5-oxopyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(5-oxopyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid
PubChem CID115918284
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Name1-(5-oxopyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESO=C1CCC(C(=O)N2CCC(C(=O)O)C(C(=O)O)C2)N1
InChIInChI=1S/C12H16N2O6/c15-9-2-1-8(13-9)10(16)14-4-3-6(11(17)18)7(5-14)12(19)20/h6-8H,1-5H2,(H,13,15)(H,17,18)(H,19,20)
InChIKeyYJSARKNBMNALBG-UHFFFAOYSA-N
XLogP-1.10
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918403
(5R)-5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 103821077
(5R)-5-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 103806957
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
5-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-one
CID 43556218
(5R)-5-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 103782617
(5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 121265380
1-(4-methoxypyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918579
(2S,7S,12S)-5,10,15,20-tetraoxo-1,6,11,16-tetrazacycloicosane-2,7,12,17-tetracarboxylic acid
CID 177496276
(2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid
CID 76973407
5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 90586478
(5R)-5-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 113265200

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxopyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(5-oxopyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid (CID 115918284) is 1-(5-oxopyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(5-oxopyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(5-oxopyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid is O=C1CCC(C(=O)N2CCC(C(=O)O)C(C(=O)O)C2)N1.
What is the InChIKey of 1-(5-oxopyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is YJSARKNBMNALBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6/c15-9-2-1-8(13-9)10(16)14-4-3-6(11(17)18)7(5-14)12(19)20/h6-8H,1-5H2,(H,13,15)(H,17,18)(H,19,20).
What are the key properties of 1-(5-oxopyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid?
1-(5-oxopyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 284.27 g/mol, XLogP of -1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxopyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 115918284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).