4-acetylpiperazine-1,3-dicarboxylic acid

C8H12N2O5 — CID 90718660

IUPAC4-acetylpiperazine-1,3-dicarboxylic acid
SMILESCC(=O)N1CCN(C(=O)O)CC1C(=O)O
InChIInChI=1S/C8H12N2O5/c1-5(11)10-3-2-9(8(14)15)4-6(10)7(12)13/h6H,2-4H2,1H3,(H,12,13)(H,14,15)
InChIKeyYIYWTKPQPIYNFF-UHFFFAOYSA-N
MW216.19 g/mol
LogP-0.72
Rot. Bonds1

About 4-acetylpiperazine-1,3-dicarboxylic acid

4-acetylpiperazine-1,3-dicarboxylic acid (PubChem CID 90718660) has the molecular formula C8H12N2O5 and a molecular weight of 216.19 g/mol. Its IUPAC name is 4-acetylpiperazine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-acetylpiperazine-1,3-dicarboxylic acid
PubChem CID90718660
Molecular FormulaC8H12N2O5
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name4-acetylpiperazine-1,3-dicarboxylic acid
SMILESCC(=O)N1CCN(C(=O)O)CC1C(=O)O
InChIInChI=1S/C8H12N2O5/c1-5(11)10-3-2-9(8(14)15)4-6(10)7(12)13/h6H,2-4H2,1H3,(H,12,13)(H,14,15)
InChIKeyYIYWTKPQPIYNFF-UHFFFAOYSA-N
XLogP-0.72
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-1,4-diacetylpiperazine-2-carboxylate
CID 7161619
alpha-Ethyl-4-methyl-2,3-dioxo-1-piperazineacetic acid
CID 20955814
1,4-Di-Boc-piperazine-2-carboxylic acid
CID 11255979
(2R)-1,4-bis((tert-butoxy)carbonyl)piperazine-2-carboxylic acid
CID 26339502
4-((Tert-butoxy)carbonyl)-1-methylpiperazine-2-carboxylic acid
CID 60081042
(2S)-1-((tert-butoxy)carbonyl)-4-methylpiperazine-2-carboxylic acid
CID 69844519
1-Methyl-5-oxopiperazine-2-carboxylic acid
CID 84107661
1-((Tert-butoxy)carbonyl)-4-methyl-5-oxopiperazine-2-carboxylic acid
CID 130003265
1,4-Di(trifluoroacetyl)piperazine-2-carboxylic acid
CID 129780271
(2R)-4-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 24874149
4-tert-Butyl-piperazine-1,2-dicarboxylic acid 1-tert-butyl ester
CID 53403122
4-Carbonofluoridoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 142004936

Frequently Asked Questions

What is the IUPAC name of 4-acetylpiperazine-1,3-dicarboxylic acid?
The IUPAC name of 4-acetylpiperazine-1,3-dicarboxylic acid (CID 90718660) is 4-acetylpiperazine-1,3-dicarboxylic acid.
What is the SMILES notation for 4-acetylpiperazine-1,3-dicarboxylic acid?
The canonical SMILES for 4-acetylpiperazine-1,3-dicarboxylic acid is CC(=O)N1CCN(C(=O)O)CC1C(=O)O.
What is the InChIKey of 4-acetylpiperazine-1,3-dicarboxylic acid?
The InChIKey is YIYWTKPQPIYNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5/c1-5(11)10-3-2-9(8(14)15)4-6(10)7(12)13/h6H,2-4H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-acetylpiperazine-1,3-dicarboxylic acid?
4-acetylpiperazine-1,3-dicarboxylic acid has a molecular weight of 216.19 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetylpiperazine-1,3-dicarboxylic acid is sourced from PubChem (CID 90718660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).