2-amino-3-(aminomethyl)butane-1,4-diol;2-[2-(dimethylamino)ethyl]butanedioate;platinum(2+)

C13H27N3O6Pt — CID 71543920

IUPAC2-amino-3-(aminomethyl)butane-1,4-diol;2-[2-(dimethylamino)ethyl]butanedioate;platinum(2+)
SMILESCN(C)CCC(CC(=O)[O-])C(=O)[O-].NCC(CO)C(N)CO.[Pt+2]
InChIInChI=1S/C8H15NO4.C5H14N2O2.Pt/c1-9(2)4-3-6(8(12)13)5-7(10)11;6-1-4(2-8)5(7)3-9;/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13);4-5,8-9H,1-3,6-7H2;/q;;+2/p-2
InChIKeyQXRCOHABNXUQJK-UHFFFAOYSA-L
MW516.45 g/mol
LogP-4.69
Rot. Bonds10

About 2-amino-3-(aminomethyl)butane-1,4-diol;2-[2-(dimethylamino)ethyl]butanedioate;platinum(2+)

2-amino-3-(aminomethyl)butane-1,4-diol;2-[2-(dimethylamino)ethyl]butanedioate;platinum(2+) (PubChem CID 71543920) has the molecular formula C13H27N3O6Pt and a molecular weight of 516.45 g/mol. Its IUPAC name is 2-amino-3-(aminomethyl)butane-1,4-diol;2-[2-(dimethylamino)ethyl]butanedioate;platinum(2+).

Molecular Properties

Compound Name2-amino-3-(aminomethyl)butane-1,4-diol;2-[2-(dimethylamino)ethyl]butanedioate;platinum(2+)
PubChem CID71543920
Molecular FormulaC13H27N3O6Pt
Molecular Weight516.45 g/mol
Exact Mass516.15
IUPAC Name2-amino-3-(aminomethyl)butane-1,4-diol;2-[2-(dimethylamino)ethyl]butanedioate;platinum(2+)
SMILESCN(C)CCC(CC(=O)[O-])C(=O)[O-].NCC(CO)C(N)CO.[Pt+2]
InChIInChI=1S/C8H15NO4.C5H14N2O2.Pt/c1-9(2)4-3-6(8(12)13)5-7(10)11;6-1-4(2-8)5(7)3-9;/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13);4-5,8-9H,1-3,6-7H2;/q;;+2/p-2
InChIKeyQXRCOHABNXUQJK-UHFFFAOYSA-L
XLogP-4.69
TPSA176.00 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.45
LogP ≤ 5-4.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

2-[2-(dimethylamino)ethyl]propanedioate;ethane-1,2-diamine;platinum(2+)
CID 71481446
gallium propane-1,2,3-tricarboxylate
CID 175397549
(2S)-butane-1,2,4-tricarboxylate
CID 7000096
(2R)-butane-1,2,4-tricarboxylate
CID 6992751
dipotassium;2-ethylbutanedioate
CID 172823194
tetrasodium;butane-1,2,4-tricarboxylate;dihydrogen phosphate
CID 141455470
copper;bis((2S)-2-amino-3-methylbutan-1-ol);diacetate
CID 162004423
bis((3S)-5-(dimethylamino)-3-hydroxypentanoate);(2R,3S)-3-formyloxy-2,3-dihydroxypropanoic acid
CID 167663039
bis(2-(dimethylamino)ethyl-triphenylphosphanium) diacetate
CID 173362420
calcium 2-[(E)-hex-4-enyl]butanedioate
CID 102118568
2-aminobutanedioate
CID 4519554
ethane-1,1,2-triamine;technetium(5+);pentaacetate
CID 173284833

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(aminomethyl)butane-1,4-diol;2-[2-(dimethylamino)ethyl]butanedioate;platinum(2+)?
The IUPAC name of 2-amino-3-(aminomethyl)butane-1,4-diol;2-[2-(dimethylamino)ethyl]butanedioate;platinum(2+) (CID 71543920) is 2-amino-3-(aminomethyl)butane-1,4-diol;2-[2-(dimethylamino)ethyl]butanedioate;platinum(2+).
What is the SMILES notation for 2-amino-3-(aminomethyl)butane-1,4-diol;2-[2-(dimethylamino)ethyl]butanedioate;platinum(2+)?
The canonical SMILES for 2-amino-3-(aminomethyl)butane-1,4-diol;2-[2-(dimethylamino)ethyl]butanedioate;platinum(2+) is CN(C)CCC(CC(=O)[O-])C(=O)[O-].NCC(CO)C(N)CO.[Pt+2].
What is the InChIKey of 2-amino-3-(aminomethyl)butane-1,4-diol;2-[2-(dimethylamino)ethyl]butanedioate;platinum(2+)?
The InChIKey is QXRCOHABNXUQJK-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H15NO4.C5H14N2O2.Pt/c1-9(2)4-3-6(8(12)13)5-7(10)11;6-1-4(2-8)5(7)3-9;/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13);4-5,8-9H,1-3,6-7H2;/q;;+2/p-2.
What are the key properties of 2-amino-3-(aminomethyl)butane-1,4-diol;2-[2-(dimethylamino)ethyl]butanedioate;platinum(2+)?
2-amino-3-(aminomethyl)butane-1,4-diol;2-[2-(dimethylamino)ethyl]butanedioate;platinum(2+) has a molecular weight of 516.45 g/mol, XLogP of -4.69, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(aminomethyl)butane-1,4-diol;2-[2-(dimethylamino)ethyl]butanedioate;platinum(2+) is sourced from PubChem (CID 71543920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).