1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid

C9H14N4O5 — CID 107439547

IUPAC1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
SMILESCC(=O)NNC(=O)CN1CC(=O)NCC1C(=O)O
InChIInChI=1S/C9H14N4O5/c1-5(14)11-12-8(16)4-13-3-7(15)10-2-6(13)9(17)18/h6H,2-4H2,1H3,(H,10,15)(H,11,14)(H,12,16)(H,17,18)
InChIKeyMDKGENFCOAHDJK-UHFFFAOYSA-N
MW258.23 g/mol
LogP-2.96
Rot. Bonds3

About 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid

1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 107439547) has the molecular formula C9H14N4O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID107439547
Molecular FormulaC9H14N4O5
Molecular Weight258.23 g/mol
Exact Mass258.10
IUPAC Name1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
SMILESCC(=O)NNC(=O)CN1CC(=O)NCC1C(=O)O
InChIInChI=1S/C9H14N4O5/c1-5(14)11-12-8(16)4-13-3-7(15)10-2-6(13)9(17)18/h6H,2-4H2,1H3,(H,10,15)(H,11,14)(H,12,16)(H,17,18)
InChIKeyMDKGENFCOAHDJK-UHFFFAOYSA-N
XLogP-2.96
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-2.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cycloheptylamino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439854
5-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperazine-2-carboxylic acid
CID 107439870
1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439604
1-[2-(2-fluoroanilino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439777
1-[(E)-but-2-enyl]-5-oxopiperazine-2-carboxylic acid
CID 107439980
1-octyl-5-oxopiperazine-2-carboxylic acid
CID 107439699
1-(2-ethoxyethyl)-5-oxopiperazine-2-carboxylic acid
CID 107439843
1-(3-methylsulfonylpropyl)-5-oxopiperazine-2-carboxylic acid
CID 107439659
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopiperazine-2-carboxylic acid
CID 107439869
5-oxo-1-pent-4-ynylpiperazine-2-carboxylic acid
CID 107439682
1-(3-ethoxy-2-hydroxypropyl)-5-oxopiperazine-2-carboxylic acid
CID 107439729
5-oxo-1-(propan-2-ylsulfamoyl)piperazine-2-carboxylic acid
CID 107435281

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid (CID 107439547) is 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid is CC(=O)NNC(=O)CN1CC(=O)NCC1C(=O)O.
What is the InChIKey of 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is MDKGENFCOAHDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O5/c1-5(14)11-12-8(16)4-13-3-7(15)10-2-6(13)9(17)18/h6H,2-4H2,1H3,(H,10,15)(H,11,14)(H,12,16)(H,17,18).
What are the key properties of 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid?
1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 258.23 g/mol, XLogP of -2.96, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107439547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).