copper;bis((2S,3S)-2-amino-3-methylpentanoate);hydrate

C12H26CuN2O5 — CID 139146135

IUPACcopper;bis((2S,3S)-2-amino-3-methylpentanoate);hydrate
SMILESCC[C@H](C)[C@H](N)C(=O)[O-].CC[C@H](C)[C@H](N)C(=O)[O-].O.[Cu+2]
InChIInChI=1S/2C6H13NO2.Cu.H2O/c2*1-3-4(2)5(7)6(8)9;;/h2*4-5H,3,7H2,1-2H3,(H,8,9);;1H2/q;;+2;/p-2/t2*4-,5-;;/m00../s1
InChIKeyUFYSIIVVQWULSH-OLGJEKSISA-L
MW341.90 g/mol
LogP-2.61
Rot. Bonds6

About copper;bis((2S,3S)-2-amino-3-methylpentanoate);hydrate

copper;bis((2S,3S)-2-amino-3-methylpentanoate);hydrate (PubChem CID 139146135) has the molecular formula C12H26CuN2O5 and a molecular weight of 341.90 g/mol. Its IUPAC name is copper;bis((2S,3S)-2-amino-3-methylpentanoate);hydrate.

Molecular Properties

Compound Namecopper;bis((2S,3S)-2-amino-3-methylpentanoate);hydrate
PubChem CID139146135
Molecular FormulaC12H26CuN2O5
Molecular Weight341.90 g/mol
Exact Mass341.11
IUPAC Namecopper;bis((2S,3S)-2-amino-3-methylpentanoate);hydrate
SMILESCC[C@H](C)[C@H](N)C(=O)[O-].CC[C@H](C)[C@H](N)C(=O)[O-].O.[Cu+2]
InChIInChI=1S/2C6H13NO2.Cu.H2O/c2*1-3-4(2)5(7)6(8)9;;/h2*4-5H,3,7H2,1-2H3,(H,8,9);;1H2/q;;+2;/p-2/t2*4-,5-;;/m00../s1
InChIKeyUFYSIIVVQWULSH-OLGJEKSISA-L
XLogP-2.61
TPSA163.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.90
LogP ≤ 5-2.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

azanium (2S,3S)-2-amino-3-methylpentanoate
CID 77105060
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S)-2-amino-3-methylpentanamide
CID 10290817
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(3S)-2-amino-3-methylpentanamide;sulfane
CID 159517895
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
2-amino-3-methylpentanoic acid;azane
CID 87185080
2-amino-3-methylpentanoic acid;manganese
CID 175109832
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
(5R)-4-amino-2,5-dimethylheptan-3-one
CID 59877270
2-amino-3-methylpentanamide;2,3-dimethylbutane
CID 22928550

Frequently Asked Questions

What is the IUPAC name of copper;bis((2S,3S)-2-amino-3-methylpentanoate);hydrate?
The IUPAC name of copper;bis((2S,3S)-2-amino-3-methylpentanoate);hydrate (CID 139146135) is copper;bis((2S,3S)-2-amino-3-methylpentanoate);hydrate.
What is the SMILES notation for copper;bis((2S,3S)-2-amino-3-methylpentanoate);hydrate?
The canonical SMILES for copper;bis((2S,3S)-2-amino-3-methylpentanoate);hydrate is CC[C@H](C)[C@H](N)C(=O)[O-].CC[C@H](C)[C@H](N)C(=O)[O-].O.[Cu+2].
What is the InChIKey of copper;bis((2S,3S)-2-amino-3-methylpentanoate);hydrate?
The InChIKey is UFYSIIVVQWULSH-OLGJEKSISA-L. The full InChI is InChI=1S/2C6H13NO2.Cu.H2O/c2*1-3-4(2)5(7)6(8)9;;/h2*4-5H,3,7H2,1-2H3,(H,8,9);;1H2/q;;+2;/p-2/t2*4-,5-;;/m00../s1.
What are the key properties of copper;bis((2S,3S)-2-amino-3-methylpentanoate);hydrate?
copper;bis((2S,3S)-2-amino-3-methylpentanoate);hydrate has a molecular weight of 341.90 g/mol, XLogP of -2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis((2S,3S)-2-amino-3-methylpentanoate);hydrate is sourced from PubChem (CID 139146135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).