copper;bis((2S)-2-amino-3-methylbutan-1-ol);diacetate

C14H32CuN2O6 — CID 162004423

IUPACcopper;bis((2S)-2-amino-3-methylbutan-1-ol);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(C)[C@H](N)CO.CC(C)[C@H](N)CO.[Cu+2]
InChIInChI=1S/2C5H13NO.2C2H4O2.Cu/c2*1-4(2)5(6)3-7;2*1-2(3)4;/h2*4-5,7H,3,6H2,1-2H3;2*1H3,(H,3,4);/q;;;;+2/p-2/t2*5-;;;/m11.../s1
InChIKeyYSQGJLLIMLICEP-DZLNWJBPSA-L
MW387.96 g/mol
LogP-2.57
Rot. Bonds4

About copper;bis((2S)-2-amino-3-methylbutan-1-ol);diacetate

copper;bis((2S)-2-amino-3-methylbutan-1-ol);diacetate (PubChem CID 162004423) has the molecular formula C14H32CuN2O6 and a molecular weight of 387.96 g/mol. Its IUPAC name is copper;bis((2S)-2-amino-3-methylbutan-1-ol);diacetate.

Molecular Properties

Compound Namecopper;bis((2S)-2-amino-3-methylbutan-1-ol);diacetate
PubChem CID162004423
Molecular FormulaC14H32CuN2O6
Molecular Weight387.96 g/mol
Exact Mass387.16
IUPAC Namecopper;bis((2S)-2-amino-3-methylbutan-1-ol);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(C)[C@H](N)CO.CC(C)[C@H](N)CO.[Cu+2]
InChIInChI=1S/2C5H13NO.2C2H4O2.Cu/c2*1-4(2)5(6)3-7;2*1-2(3)4;/h2*4-5,7H,3,6H2,1-2H3;2*1H3,(H,3,4);/q;;;;+2/p-2/t2*5-;;;/m11.../s1
InChIKeyYSQGJLLIMLICEP-DZLNWJBPSA-L
XLogP-2.57
TPSA172.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.96
LogP ≤ 5-2.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol
CID 87115699
sodium;propane-1,2-diol;acetate
CID 88844727
trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate
CID 141087880
sodium;propane-1,2-diol;acetate;trihydrate
CID 173192120
methylazanium;propane-1,2-diol;acetate
CID 160618134
propane-1,2,3-triol;propan-2-ol;acetate
CID 22641262
dicopper diacetate
CID 158276690
copper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate
CID 159153251
3-(hydroxymethyl)pentane-2,4-dione
CID 21422016
copper;ethane-1,2-diamine;diacetate
CID 160578350
ethane-1,1,2-triamine;technetium(5+);pentaacetate
CID 173284833
sodium;2-aminopropanoic acid;acetate
CID 159185216

Frequently Asked Questions

What is the IUPAC name of copper;bis((2S)-2-amino-3-methylbutan-1-ol);diacetate?
The IUPAC name of copper;bis((2S)-2-amino-3-methylbutan-1-ol);diacetate (CID 162004423) is copper;bis((2S)-2-amino-3-methylbutan-1-ol);diacetate.
What is the SMILES notation for copper;bis((2S)-2-amino-3-methylbutan-1-ol);diacetate?
The canonical SMILES for copper;bis((2S)-2-amino-3-methylbutan-1-ol);diacetate is CC(=O)[O-].CC(=O)[O-].CC(C)[C@H](N)CO.CC(C)[C@H](N)CO.[Cu+2].
What is the InChIKey of copper;bis((2S)-2-amino-3-methylbutan-1-ol);diacetate?
The InChIKey is YSQGJLLIMLICEP-DZLNWJBPSA-L. The full InChI is InChI=1S/2C5H13NO.2C2H4O2.Cu/c2*1-4(2)5(6)3-7;2*1-2(3)4;/h2*4-5,7H,3,6H2,1-2H3;2*1H3,(H,3,4);/q;;;;+2/p-2/t2*5-;;;/m11.../s1.
What are the key properties of copper;bis((2S)-2-amino-3-methylbutan-1-ol);diacetate?
copper;bis((2S)-2-amino-3-methylbutan-1-ol);diacetate has a molecular weight of 387.96 g/mol, XLogP of -2.57, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis((2S)-2-amino-3-methylbutan-1-ol);diacetate is sourced from PubChem (CID 162004423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).