dicopper;2-aminoacetate;1,2-dihydroxypropane-1,2,3-tricarboxylate

C8H9Cu2NO10 — CID 173124553

IUPACdicopper;2-aminoacetate;1,2-dihydroxypropane-1,2,3-tricarboxylate
SMILESNCC(=O)[O-].O=C([O-])CC(O)(C(=O)[O-])C(O)C(=O)[O-].[Cu+2].[Cu+2]
InChIInChI=1S/C6H8O8.C2H5NO2.2Cu/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;3-1-2(4)5;;/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13);1,3H2,(H,4,5);;/q;;2*+2/p-4
InChIKeyDUCHQBYLPXKRMP-UHFFFAOYSA-J
MW406.25 g/mol
LogP-8.59
Rot. Bonds6

About dicopper;2-aminoacetate;1,2-dihydroxypropane-1,2,3-tricarboxylate

dicopper;2-aminoacetate;1,2-dihydroxypropane-1,2,3-tricarboxylate (PubChem CID 173124553) has the molecular formula C8H9Cu2NO10 and a molecular weight of 406.25 g/mol. Its IUPAC name is dicopper;2-aminoacetate;1,2-dihydroxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Namedicopper;2-aminoacetate;1,2-dihydroxypropane-1,2,3-tricarboxylate
PubChem CID173124553
Molecular FormulaC8H9Cu2NO10
Molecular Weight406.25 g/mol
Exact Mass404.88
IUPAC Namedicopper;2-aminoacetate;1,2-dihydroxypropane-1,2,3-tricarboxylate
SMILESNCC(=O)[O-].O=C([O-])CC(O)(C(=O)[O-])C(O)C(=O)[O-].[Cu+2].[Cu+2]
InChIInChI=1S/C6H8O8.C2H5NO2.2Cu/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;3-1-2(4)5;;/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13);1,3H2,(H,4,5);;/q;;2*+2/p-4
InChIKeyDUCHQBYLPXKRMP-UHFFFAOYSA-J
XLogP-8.59
TPSA227.00 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.25
LogP ≤ 5-8.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Related Compounds

tripotassium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate
CID 71587862
2-[carboxy(hydroxy)methyl]-2-hydroxybutanedioate
CID 4093067
calcium 3-carboxy-2,3-dihydroxypentanedioate
CID 170914892
2-hydroxy-4-methylpentane-1,2,3-tricarboxylate
CID 22362002
copper;bis(2-aminoacetate);hydrate
CID 139067245
dizinc bis(2,3-dihydroxy-2-(2-sulfanylethyl)butanedioate)
CID 161154654
tris(2-aminoacetate);copper
CID 158701626
2-aminoacetate;rubidium(1+)
CID 59119233
aluminum tris(2-aminoacetate)
CID 6452712
3-carboxy-3,4,5-trihydroxy-5-oxopentanoate;bis(yttrium)
CID 58097663
magnesium;dipotassium;1-hydroxy-2-oxidopropane-1,2,3-tricarboxylate;hydroxide
CID 156673974
tetrakis(2-aminoacetate);cobalt(2+);nickel(2+)
CID 175457538

Frequently Asked Questions

What is the IUPAC name of dicopper;2-aminoacetate;1,2-dihydroxypropane-1,2,3-tricarboxylate?
The IUPAC name of dicopper;2-aminoacetate;1,2-dihydroxypropane-1,2,3-tricarboxylate (CID 173124553) is dicopper;2-aminoacetate;1,2-dihydroxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for dicopper;2-aminoacetate;1,2-dihydroxypropane-1,2,3-tricarboxylate?
The canonical SMILES for dicopper;2-aminoacetate;1,2-dihydroxypropane-1,2,3-tricarboxylate is NCC(=O)[O-].O=C([O-])CC(O)(C(=O)[O-])C(O)C(=O)[O-].[Cu+2].[Cu+2].
What is the InChIKey of dicopper;2-aminoacetate;1,2-dihydroxypropane-1,2,3-tricarboxylate?
The InChIKey is DUCHQBYLPXKRMP-UHFFFAOYSA-J. The full InChI is InChI=1S/C6H8O8.C2H5NO2.2Cu/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;3-1-2(4)5;;/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13);1,3H2,(H,4,5);;/q;;2*+2/p-4.
What are the key properties of dicopper;2-aminoacetate;1,2-dihydroxypropane-1,2,3-tricarboxylate?
dicopper;2-aminoacetate;1,2-dihydroxypropane-1,2,3-tricarboxylate has a molecular weight of 406.25 g/mol, XLogP of -8.59, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;2-aminoacetate;1,2-dihydroxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 173124553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).