2-amino-3-hydroxybutanoic acid;4-hydroxy-2-(propylamino)butanoic acid;zinc

C11H24N2O6Zn2 — CID 174949324

IUPAC2-amino-3-hydroxybutanoic acid;4-hydroxy-2-(propylamino)butanoic acid;zinc
SMILESCC(O)C(N)C(=O)O.CCCNC(CCO)C(=O)O.[Zn].[Zn]
InChIInChI=1S/C7H15NO3.C4H9NO3.2Zn/c1-2-4-8-6(3-5-9)7(10)11;1-2(6)3(5)4(7)8;;/h6,8-9H,2-5H2,1H3,(H,10,11);2-3,6H,5H2,1H3,(H,7,8);;
InChIKeyDDBSEOBUMWCEPB-UHFFFAOYSA-N
MW411.10 g/mol
LogP-1.40
Rot. Bonds8

About 2-amino-3-hydroxybutanoic acid;4-hydroxy-2-(propylamino)butanoic acid;zinc

2-amino-3-hydroxybutanoic acid;4-hydroxy-2-(propylamino)butanoic acid;zinc (PubChem CID 174949324) has the molecular formula C11H24N2O6Zn2 and a molecular weight of 411.10 g/mol. Its IUPAC name is 2-amino-3-hydroxybutanoic acid;4-hydroxy-2-(propylamino)butanoic acid;zinc.

Molecular Properties

Compound Name2-amino-3-hydroxybutanoic acid;4-hydroxy-2-(propylamino)butanoic acid;zinc
PubChem CID174949324
Molecular FormulaC11H24N2O6Zn2
Molecular Weight411.10 g/mol
Exact Mass408.02
IUPAC Name2-amino-3-hydroxybutanoic acid;4-hydroxy-2-(propylamino)butanoic acid;zinc
SMILESCC(O)C(N)C(=O)O.CCCNC(CCO)C(=O)O.[Zn].[Zn]
InChIInChI=1S/C7H15NO3.C4H9NO3.2Zn/c1-2-4-8-6(3-5-9)7(10)11;1-2(6)3(5)4(7)8;;/h6,8-9H,2-5H2,1H3,(H,10,11);2-3,6H,5H2,1H3,(H,7,8);;
InChIKeyDDBSEOBUMWCEPB-UHFFFAOYSA-N
XLogP-1.40
TPSA153.11 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.10
LogP ≤ 5-1.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon
CID 174783521
azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride
CID 174910345
4-hydroxy-2-(propylamino)butanoic acid;pentane-1,1-diamine
CID 174939925
2-aminoacetic acid;2-amino-3-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid
CID 174818632
disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate
CID 161259430
(2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid
CID 172821173
(2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol
CID 174830417
bis(2-amino-3-phenylpropanoic acid);4-hydroxy-2-(propylamino)butanoic acid
CID 174963682
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);2-amino-3-methylpentanoic acid;azane;4-hydroxy-2-(propylamino)butanoic acid
CID 174521822
(2S)-4-hydroxy-2-(3-hydroxydodecylamino)butanoic acid
CID 175590660
(2S)-3-hydroxy-2-(propylamino)propanoic acid
CID 55287062
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxybutanoic acid;4-hydroxy-2-(propylamino)butanoic acid;zinc?
The IUPAC name of 2-amino-3-hydroxybutanoic acid;4-hydroxy-2-(propylamino)butanoic acid;zinc (CID 174949324) is 2-amino-3-hydroxybutanoic acid;4-hydroxy-2-(propylamino)butanoic acid;zinc.
What is the SMILES notation for 2-amino-3-hydroxybutanoic acid;4-hydroxy-2-(propylamino)butanoic acid;zinc?
The canonical SMILES for 2-amino-3-hydroxybutanoic acid;4-hydroxy-2-(propylamino)butanoic acid;zinc is CC(O)C(N)C(=O)O.CCCNC(CCO)C(=O)O.[Zn].[Zn].
What is the InChIKey of 2-amino-3-hydroxybutanoic acid;4-hydroxy-2-(propylamino)butanoic acid;zinc?
The InChIKey is DDBSEOBUMWCEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3.C4H9NO3.2Zn/c1-2-4-8-6(3-5-9)7(10)11;1-2(6)3(5)4(7)8;;/h6,8-9H,2-5H2,1H3,(H,10,11);2-3,6H,5H2,1H3,(H,7,8);;.
What are the key properties of 2-amino-3-hydroxybutanoic acid;4-hydroxy-2-(propylamino)butanoic acid;zinc?
2-amino-3-hydroxybutanoic acid;4-hydroxy-2-(propylamino)butanoic acid;zinc has a molecular weight of 411.10 g/mol, XLogP of -1.40, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxybutanoic acid;4-hydroxy-2-(propylamino)butanoic acid;zinc is sourced from PubChem (CID 174949324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).