2-amino-3-methylbutanoic acid;zinc;dihydrate

C5H15NO4Zn — CID 175445851

IUPAC2-amino-3-methylbutanoic acid;zinc;dihydrate
SMILESCC(C)C(N)C(=O)O.O.O.[Zn]
InChIInChI=1S/C5H11NO2.2H2O.Zn/c1-3(2)4(6)5(7)8;;;/h3-4H,6H2,1-2H3,(H,7,8);2*1H2;
InChIKeyVSURUPKTZAAWPL-UHFFFAOYSA-N
MW218.57 g/mol
LogP-1.60
Rot. Bonds2

About 2-amino-3-methylbutanoic acid;zinc;dihydrate

2-amino-3-methylbutanoic acid;zinc;dihydrate (PubChem CID 175445851) has the molecular formula C5H15NO4Zn and a molecular weight of 218.57 g/mol. Its IUPAC name is 2-amino-3-methylbutanoic acid;zinc;dihydrate.

Molecular Properties

Compound Name2-amino-3-methylbutanoic acid;zinc;dihydrate
PubChem CID175445851
Molecular FormulaC5H15NO4Zn
Molecular Weight218.57 g/mol
Exact Mass217.03
IUPAC Name2-amino-3-methylbutanoic acid;zinc;dihydrate
SMILESCC(C)C(N)C(=O)O.O.O.[Zn]
InChIInChI=1S/C5H11NO2.2H2O.Zn/c1-3(2)4(6)5(7)8;;;/h3-4H,6H2,1-2H3,(H,7,8);2*1H2;
InChIKeyVSURUPKTZAAWPL-UHFFFAOYSA-N
XLogP-1.60
TPSA126.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.57
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
silver 2-amino-3-methylbutanoic acid
CID 19021116
magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride
CID 159678853
(2S)-2-amino-3-methylbutanoic acid;silyloxysilane
CID 173116914
(2S)-2-amino-3-methylbutanoic acid;carbonyl dichloride
CID 87642721
(2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid
CID 175839028
(2S)-2-amino-3-methylbutanoic acid;benzene;chloromethane
CID 159269253
(2S)-2-amino-3-methylbutanoic acid;formic acid
CID 160949818
2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 146265314

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylbutanoic acid;zinc;dihydrate?
The IUPAC name of 2-amino-3-methylbutanoic acid;zinc;dihydrate (CID 175445851) is 2-amino-3-methylbutanoic acid;zinc;dihydrate.
What is the SMILES notation for 2-amino-3-methylbutanoic acid;zinc;dihydrate?
The canonical SMILES for 2-amino-3-methylbutanoic acid;zinc;dihydrate is CC(C)C(N)C(=O)O.O.O.[Zn].
What is the InChIKey of 2-amino-3-methylbutanoic acid;zinc;dihydrate?
The InChIKey is VSURUPKTZAAWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.2H2O.Zn/c1-3(2)4(6)5(7)8;;;/h3-4H,6H2,1-2H3,(H,7,8);2*1H2;.
What are the key properties of 2-amino-3-methylbutanoic acid;zinc;dihydrate?
2-amino-3-methylbutanoic acid;zinc;dihydrate has a molecular weight of 218.57 g/mol, XLogP of -1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylbutanoic acid;zinc;dihydrate is sourced from PubChem (CID 175445851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).