2-(1,4-diacetyl-3,6-dioxopiperazin-2-yl)acetic acid

C10H12N2O6 — CID 23183968

IUPAC2-(1,4-diacetyl-3,6-dioxopiperazin-2-yl)acetic acid
SMILESCC(=O)N1CC(=O)N(C(C)=O)C(CC(=O)O)C1=O
InChIInChI=1S/C10H12N2O6/c1-5(13)11-4-8(15)12(6(2)14)7(10(11)18)3-9(16)17/h7H,3-4H2,1-2H3,(H,16,17)
InChIKeyRFRCYMXSHZDGHN-UHFFFAOYSA-N
MW256.21 g/mol
LogP-1.41
Rot. Bonds2

About 2-(1,4-diacetyl-3,6-dioxopiperazin-2-yl)acetic acid

2-(1,4-diacetyl-3,6-dioxopiperazin-2-yl)acetic acid (PubChem CID 23183968) has the molecular formula C10H12N2O6 and a molecular weight of 256.21 g/mol. Its IUPAC name is 2-(1,4-diacetyl-3,6-dioxopiperazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,4-diacetyl-3,6-dioxopiperazin-2-yl)acetic acid
PubChem CID23183968
Molecular FormulaC10H12N2O6
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Name2-(1,4-diacetyl-3,6-dioxopiperazin-2-yl)acetic acid
SMILESCC(=O)N1CC(=O)N(C(C)=O)C(CC(=O)O)C1=O
InChIInChI=1S/C10H12N2O6/c1-5(13)11-4-8(15)12(6(2)14)7(10(11)18)3-9(16)17/h7H,3-4H2,1-2H3,(H,16,17)
InChIKeyRFRCYMXSHZDGHN-UHFFFAOYSA-N
XLogP-1.41
TPSA112.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diacetyl-3,6-dioxopiperazin-2-yl)acetic acid?
The IUPAC name of 2-(1,4-diacetyl-3,6-dioxopiperazin-2-yl)acetic acid (CID 23183968) is 2-(1,4-diacetyl-3,6-dioxopiperazin-2-yl)acetic acid.
What is the SMILES notation for 2-(1,4-diacetyl-3,6-dioxopiperazin-2-yl)acetic acid?
The canonical SMILES for 2-(1,4-diacetyl-3,6-dioxopiperazin-2-yl)acetic acid is CC(=O)N1CC(=O)N(C(C)=O)C(CC(=O)O)C1=O.
What is the InChIKey of 2-(1,4-diacetyl-3,6-dioxopiperazin-2-yl)acetic acid?
The InChIKey is RFRCYMXSHZDGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6/c1-5(13)11-4-8(15)12(6(2)14)7(10(11)18)3-9(16)17/h7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-(1,4-diacetyl-3,6-dioxopiperazin-2-yl)acetic acid?
2-(1,4-diacetyl-3,6-dioxopiperazin-2-yl)acetic acid has a molecular weight of 256.21 g/mol, XLogP of -1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diacetyl-3,6-dioxopiperazin-2-yl)acetic acid is sourced from PubChem (CID 23183968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).