CID 172728144

C4H7NNaO4Zn — CID 172728144

IUPAC—
SMILESN[C@@H](CC(=O)O)C(=O)O.[Na].[Zn]
InChIInChI=1S/C4H7NO4.Na.Zn/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/t2-;;/m0../s1
InChIKeyHKSCNCARTXADDR-JIZZDEOASA-N
MW221.48 g/mol
LogP-1.51
Rot. Bonds3

About CID 172728144

CID 172728144 (PubChem CID 172728144) has the molecular formula C4H7NNaO4Zn and a molecular weight of 221.48 g/mol.

Molecular Properties

Compound NameCID 172728144
PubChem CID172728144
Molecular FormulaC4H7NNaO4Zn
Molecular Weight221.48 g/mol
Exact Mass219.96
IUPAC Name—
SMILESN[C@@H](CC(=O)O)C(=O)O.[Na].[Zn]
InChIInChI=1S/C4H7NO4.Na.Zn/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/t2-;;/m0../s1
InChIKeyHKSCNCARTXADDR-JIZZDEOASA-N
XLogP-1.51
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.48
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 172728144 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

(2R)-2-aminobutanedioic acid;zinc;hydrate
CID 156758175
magnesium;(2S)-2-aminobutanedioic acid;hydride;zinc
CID 174993846
CID 131864134
CID 131864134
2-aminobutanedioic acid;selane
CID 174828111
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
azanium (2S)-2-aminobutanedioic acid
CID 10130050
tris((2S)-2-aminobutanedioic acid);phosphane
CID 172741864
2-aminobutanedioic acid;molybdenum
CID 76550864
CID 173060561
CID 173060561
calcium;2-aminobutanedioic acid;hydron
CID 173271568

Frequently Asked Questions

What is the IUPAC name of CID 172728144?
The IUPAC name of CID 172728144 (CID 172728144) is not available.
What is the SMILES notation for CID 172728144?
The canonical SMILES for CID 172728144 is N[C@@H](CC(=O)O)C(=O)O.[Na].[Zn].
What is the InChIKey of CID 172728144?
The InChIKey is HKSCNCARTXADDR-JIZZDEOASA-N. The full InChI is InChI=1S/C4H7NO4.Na.Zn/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/t2-;;/m0../s1.
What are the key properties of CID 172728144?
CID 172728144 has a molecular weight of 221.48 g/mol, XLogP of -1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172728144 is sourced from PubChem (CID 172728144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).