(2R)-2-aminobutanedioic acid;zinc;hydrate

C4H9NO5Zn — CID 156758175

IUPAC(2R)-2-aminobutanedioic acid;zinc;hydrate
SMILESN[C@H](CC(=O)O)C(=O)O.O.[Zn]
InChIInChI=1S/C4H7NO4.H2O.Zn/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);1H2;/t2-;;/m1../s1
InChIKeyQGUOFACSWHEGSP-YBBRRFGFSA-N
MW216.51 g/mol
LogP-1.95
Rot. Bonds3

About (2R)-2-aminobutanedioic acid;zinc;hydrate

(2R)-2-aminobutanedioic acid;zinc;hydrate (PubChem CID 156758175) has the molecular formula C4H9NO5Zn and a molecular weight of 216.51 g/mol. Its IUPAC name is (2R)-2-aminobutanedioic acid;zinc;hydrate.

Molecular Properties

Compound Name(2R)-2-aminobutanedioic acid;zinc;hydrate
PubChem CID156758175
Molecular FormulaC4H9NO5Zn
Molecular Weight216.51 g/mol
Exact Mass214.98
IUPAC Name(2R)-2-aminobutanedioic acid;zinc;hydrate
SMILESN[C@H](CC(=O)O)C(=O)O.O.[Zn]
InChIInChI=1S/C4H7NO4.H2O.Zn/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);1H2;/t2-;;/m1../s1
InChIKeyQGUOFACSWHEGSP-YBBRRFGFSA-N
XLogP-1.95
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.51
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 172728144
CID 172728144
magnesium;(2S)-2-aminobutanedioic acid;hydride;zinc
CID 174993846
tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
2-aminobutanedioic acid;selane
CID 174828111
2-aminobutanedioic acid;molybdenum
CID 76550864
azanium (2S)-2-aminobutanedioic acid
CID 10130050
tris((2S)-2-aminobutanedioic acid);phosphane
CID 172741864
CID 131864134
CID 131864134
calcium;2-aminobutanedioic acid;hydron
CID 173271568
CID 173060561
CID 173060561

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminobutanedioic acid;zinc;hydrate?
The IUPAC name of (2R)-2-aminobutanedioic acid;zinc;hydrate (CID 156758175) is (2R)-2-aminobutanedioic acid;zinc;hydrate.
What is the SMILES notation for (2R)-2-aminobutanedioic acid;zinc;hydrate?
The canonical SMILES for (2R)-2-aminobutanedioic acid;zinc;hydrate is N[C@H](CC(=O)O)C(=O)O.O.[Zn].
What is the InChIKey of (2R)-2-aminobutanedioic acid;zinc;hydrate?
The InChIKey is QGUOFACSWHEGSP-YBBRRFGFSA-N. The full InChI is InChI=1S/C4H7NO4.H2O.Zn/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);1H2;/t2-;;/m1../s1.
What are the key properties of (2R)-2-aminobutanedioic acid;zinc;hydrate?
(2R)-2-aminobutanedioic acid;zinc;hydrate has a molecular weight of 216.51 g/mol, XLogP of -1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminobutanedioic acid;zinc;hydrate is sourced from PubChem (CID 156758175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).