4-(2-aminoethylamino)oxy-4-oxobutanoic acid;zinc

C6H12N2O4Zn — CID 88642053

IUPAC4-(2-aminoethylamino)oxy-4-oxobutanoic acid;zinc
SMILESNCCNOC(=O)CCC(=O)O.[Zn]
InChIInChI=1S/C6H12N2O4.Zn/c7-3-4-8-12-6(11)2-1-5(9)10;/h8H,1-4,7H2,(H,9,10);
InChIKeyXWDBFFLWYRVMTJ-UHFFFAOYSA-N
MW241.56 g/mol
LogP-1.14
Rot. Bonds6

About 4-(2-aminoethylamino)oxy-4-oxobutanoic acid;zinc

4-(2-aminoethylamino)oxy-4-oxobutanoic acid;zinc (PubChem CID 88642053) has the molecular formula C6H12N2O4Zn and a molecular weight of 241.56 g/mol. Its IUPAC name is 4-(2-aminoethylamino)oxy-4-oxobutanoic acid;zinc.

Molecular Properties

Compound Name4-(2-aminoethylamino)oxy-4-oxobutanoic acid;zinc
PubChem CID88642053
Molecular FormulaC6H12N2O4Zn
Molecular Weight241.56 g/mol
Exact Mass240.01
IUPAC Name4-(2-aminoethylamino)oxy-4-oxobutanoic acid;zinc
SMILESNCCNOC(=O)CCC(=O)O.[Zn]
InChIInChI=1S/C6H12N2O4.Zn/c7-3-4-8-12-6(11)2-1-5(9)10;/h8H,1-4,7H2,(H,9,10);
InChIKeyXWDBFFLWYRVMTJ-UHFFFAOYSA-N
XLogP-1.14
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.56
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-aminoethylamino)oxy-4-oxobutanoic acid;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylamino)oxy-4-oxobutanoic acid;zinc?
The IUPAC name of 4-(2-aminoethylamino)oxy-4-oxobutanoic acid;zinc (CID 88642053) is 4-(2-aminoethylamino)oxy-4-oxobutanoic acid;zinc.
What is the SMILES notation for 4-(2-aminoethylamino)oxy-4-oxobutanoic acid;zinc?
The canonical SMILES for 4-(2-aminoethylamino)oxy-4-oxobutanoic acid;zinc is NCCNOC(=O)CCC(=O)O.[Zn].
What is the InChIKey of 4-(2-aminoethylamino)oxy-4-oxobutanoic acid;zinc?
The InChIKey is XWDBFFLWYRVMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4.Zn/c7-3-4-8-12-6(11)2-1-5(9)10;/h8H,1-4,7H2,(H,9,10);.
What are the key properties of 4-(2-aminoethylamino)oxy-4-oxobutanoic acid;zinc?
4-(2-aminoethylamino)oxy-4-oxobutanoic acid;zinc has a molecular weight of 241.56 g/mol, XLogP of -1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylamino)oxy-4-oxobutanoic acid;zinc is sourced from PubChem (CID 88642053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).