diamino 2-hydroxybutanedioate;zinc

C4H8N2O5Zn — CID 175141519

IUPACdiamino 2-hydroxybutanedioate;zinc
SMILESNOC(=O)CC(O)C(=O)ON.[Zn]
InChIInChI=1S/C4H8N2O5.Zn/c5-10-3(8)1-2(7)4(9)11-6;/h2,7H,1,5-6H2;
InChIKeyUFRKDCCCJYJORL-UHFFFAOYSA-N
MW229.51 g/mol
LogP-2.43
Rot. Bonds3

About diamino 2-hydroxybutanedioate;zinc

diamino 2-hydroxybutanedioate;zinc (PubChem CID 175141519) has the molecular formula C4H8N2O5Zn and a molecular weight of 229.51 g/mol. Its IUPAC name is diamino 2-hydroxybutanedioate;zinc.

Molecular Properties

Compound Namediamino 2-hydroxybutanedioate;zinc
PubChem CID175141519
Molecular FormulaC4H8N2O5Zn
Molecular Weight229.51 g/mol
Exact Mass227.97
IUPAC Namediamino 2-hydroxybutanedioate;zinc
SMILESNOC(=O)CC(O)C(=O)ON.[Zn]
InChIInChI=1S/C4H8N2O5.Zn/c5-10-3(8)1-2(7)4(9)11-6;/h2,7H,1,5-6H2;
InChIKeyUFRKDCCCJYJORL-UHFFFAOYSA-N
XLogP-2.43
TPSA124.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.51
LogP ≤ 5-2.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze diamino 2-hydroxybutanedioate;zinc with MolForge

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

Launch Full Analysis

Related Compounds

amino 2-aminoacetate;zinc
CID 87197519
(4-azaniumyloxy-2-hydroxy-4-oxobutanoyl)oxyazanium
CID 6368462
alumane;amino 2,2-dihydroxyacetate
CID 173002516
2-(2-aminooxy-2-oxoethyl)-3-methylbut-3-enoic acid
CID 90183215
1-O-acetyl 4-O-(4-acetyloxy-3-hydroxy-4-oxobutanoyl) 2-hydroxybutanedioate
CID 88731949
4-[(3S)-3-amino-4-(3-carboxy-3-hydroxypropanoyl)oxy-4-oxobutanoyl]oxy-2-hydroxy-4-oxobutanoic acid
CID 174613181
bis[(2S)-2-amino-3-sulfanylpropanoyl] 2-hydroxybutanedioate
CID 88715639
diethyl 2-hydroxybutanedioate;diethyl propanedioate
CID 174923020
bis(formyloxymethyl) 2-hydroxybutanedioate
CID 174529204
diethyl 2-hydroxybutanedioate;oxalic acid
CID 162333758
bis(prop-2-ynyl) 2-hydroxybutanedioate
CID 13348843
(3S)-3-amino-4-aminooxy-4-oxobutanoic acid
CID 20575901

Frequently Asked Questions

What is the IUPAC name of diamino 2-hydroxybutanedioate;zinc?
The IUPAC name of diamino 2-hydroxybutanedioate;zinc (CID 175141519) is diamino 2-hydroxybutanedioate;zinc.
What is the SMILES notation for diamino 2-hydroxybutanedioate;zinc?
The canonical SMILES for diamino 2-hydroxybutanedioate;zinc is NOC(=O)CC(O)C(=O)ON.[Zn].
What is the InChIKey of diamino 2-hydroxybutanedioate;zinc?
The InChIKey is UFRKDCCCJYJORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O5.Zn/c5-10-3(8)1-2(7)4(9)11-6;/h2,7H,1,5-6H2;.
What are the key properties of diamino 2-hydroxybutanedioate;zinc?
diamino 2-hydroxybutanedioate;zinc has a molecular weight of 229.51 g/mol, XLogP of -2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diamino 2-hydroxybutanedioate;zinc is sourced from PubChem (CID 175141519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).