2-oxopiperazine-1,3-dicarboxylic acid

C6H8N2O5 — CID 150152273

IUPAC2-oxopiperazine-1,3-dicarboxylic acid
SMILESO=C(O)C1NCCN(C(=O)O)C1=O
InChIInChI=1S/C6H8N2O5/c9-4-3(5(10)11)7-1-2-8(4)6(12)13/h3,7H,1-2H2,(H,10,11)(H,12,13)
InChIKeyFFMMGFVGDHYBCY-UHFFFAOYSA-N
MW188.14 g/mol
LogP-1.45
Rot. Bonds1

About 2-oxopiperazine-1,3-dicarboxylic acid

2-oxopiperazine-1,3-dicarboxylic acid (PubChem CID 150152273) has the molecular formula C6H8N2O5 and a molecular weight of 188.14 g/mol. Its IUPAC name is 2-oxopiperazine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2-oxopiperazine-1,3-dicarboxylic acid
PubChem CID150152273
Molecular FormulaC6H8N2O5
Molecular Weight188.14 g/mol
Exact Mass188.04
IUPAC Name2-oxopiperazine-1,3-dicarboxylic acid
SMILESO=C(O)C1NCCN(C(=O)O)C1=O
InChIInChI=1S/C6H8N2O5/c9-4-3(5(10)11)7-1-2-8(4)6(12)13/h3,7H,1-2H2,(H,10,11)(H,12,13)
InChIKeyFFMMGFVGDHYBCY-UHFFFAOYSA-N
XLogP-1.45
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.14
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

D-N-(Carboxyacetyl)alanine
CID 21257161
4-(Carboxymethyl)piperazine-2-carboxylic acid
CID 13491863
5-Oxopiperazine-2-carboxylic acid
CID 21304731
1-Methyl-5-oxopiperazine-2-carboxylic acid
CID 84107661
D-Alanine, N-(carboxyacetyl)-
CID 162789474
Piperazine-malonic acid
CID 54482578
N-(carboxyacetyl}alanine
CID 87248513
(2S)-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxylic acid
CID 149739810
(2S)-2-fluoro-3-oxopiperazine-2-carboxylic acid
CID 174188026
3-(2,5-Dioxopiperazin-1-yl)propanoic acid
CID 21792553
5,6-Dioxopiperazine-2-carboxylic acid
CID 45082279
1-(Trifluoroacetyl)piperazine-2-carboxylic acid
CID 65630572

Frequently Asked Questions

What is the IUPAC name of 2-oxopiperazine-1,3-dicarboxylic acid?
The IUPAC name of 2-oxopiperazine-1,3-dicarboxylic acid (CID 150152273) is 2-oxopiperazine-1,3-dicarboxylic acid.
What is the SMILES notation for 2-oxopiperazine-1,3-dicarboxylic acid?
The canonical SMILES for 2-oxopiperazine-1,3-dicarboxylic acid is O=C(O)C1NCCN(C(=O)O)C1=O.
What is the InChIKey of 2-oxopiperazine-1,3-dicarboxylic acid?
The InChIKey is FFMMGFVGDHYBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O5/c9-4-3(5(10)11)7-1-2-8(4)6(12)13/h3,7H,1-2H2,(H,10,11)(H,12,13).
What are the key properties of 2-oxopiperazine-1,3-dicarboxylic acid?
2-oxopiperazine-1,3-dicarboxylic acid has a molecular weight of 188.14 g/mol, XLogP of -1.45, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopiperazine-1,3-dicarboxylic acid is sourced from PubChem (CID 150152273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).