beryllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate

C10H20BeN2O10 — CID 173366777

IUPACberyllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate
SMILESN[C@@H](CCC(=O)O)C(=O)[O-].N[C@@H](CCC(=O)O)C(=O)[O-].O.O.[Be+2]
InChIInChI=1S/2C5H9NO4.Be.2H2O/c2*6-3(5(9)10)1-2-4(7)8;;;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);;2*1H2/q;;+2;;/p-2/t2*3-;;;/m00.../s1
InChIKeyNGRAKYNEIYSDNE-MINUCSRNSA-L
MW337.29 g/mol
LogP-6.17
Rot. Bonds8

About beryllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate

beryllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate (PubChem CID 173366777) has the molecular formula C10H20BeN2O10 and a molecular weight of 337.29 g/mol. Its IUPAC name is beryllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate.

Molecular Properties

Compound Nameberyllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate
PubChem CID173366777
Molecular FormulaC10H20BeN2O10
Molecular Weight337.29 g/mol
Exact Mass337.12
IUPAC Nameberyllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate
SMILESN[C@@H](CCC(=O)O)C(=O)[O-].N[C@@H](CCC(=O)O)C(=O)[O-].O.O.[Be+2]
InChIInChI=1S/2C5H9NO4.Be.2H2O/c2*6-3(5(9)10)1-2-4(7)8;;;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);;2*1H2/q;;+2;;/p-2/t2*3-;;;/m00.../s1
InChIKeyNGRAKYNEIYSDNE-MINUCSRNSA-L
XLogP-6.17
TPSA269.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 5-6.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+)
CID 173162315
tris((2S)-2-amino-4-hydroxy-4-oxobutanoate);tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);bis(chromium(3+))
CID 173192312
disodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate
CID 131731808
magnesium;(2S)-2-aminopentanedioate;(2S)-2-aminopentanedioic acid;tetrahydrate
CID 163198340
(2S)-2-amino-5-hydroxy-5-oxopentanoate;(2S)-2-aminopropanoate;5-hydroxy-2,5-dioxopentanoate;2-oxopropanoate
CID 167558156
strontium;(2R)-2-aminopentanedioate;hydrate
CID 141288425
strontium;(2S)-2-aminopentanedioate;pentahydrate
CID 172813696
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
2-aminopentanedioic acid;hexahydrate
CID 173177476
calcium;bis((2S)-2-aminopentanedioate);hydron;tetrahydrate
CID 91826886
(2S)-2-aminopentanedioate;nickel(2+)
CID 87532151

Frequently Asked Questions

What is the IUPAC name of beryllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate?
The IUPAC name of beryllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate (CID 173366777) is beryllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate.
What is the SMILES notation for beryllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate?
The canonical SMILES for beryllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate is N[C@@H](CCC(=O)O)C(=O)[O-].N[C@@H](CCC(=O)O)C(=O)[O-].O.O.[Be+2].
What is the InChIKey of beryllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate?
The InChIKey is NGRAKYNEIYSDNE-MINUCSRNSA-L. The full InChI is InChI=1S/2C5H9NO4.Be.2H2O/c2*6-3(5(9)10)1-2-4(7)8;;;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);;2*1H2/q;;+2;;/p-2/t2*3-;;;/m00.../s1.
What are the key properties of beryllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate?
beryllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate has a molecular weight of 337.29 g/mol, XLogP of -6.17, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate is sourced from PubChem (CID 173366777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).