bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+))

C22H38N4O8Pt2 — CID 71481504

IUPACbis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+))
SMILESCC(N[C@@H]1CCCC[C@H]1N)C(=O)[O-].CC(N[C@@H]1CCCC[C@H]1N)C(=O)[O-].O=C([O-])CCC(=O)[O-].[Pt+2].[Pt+2]
InChIInChI=1S/2C9H18N2O2.C4H6O4.2Pt/c2*1-6(9(12)13)11-8-5-3-2-4-7(8)10;5-3(6)1-2-4(7)8;;/h2*6-8,11H,2-5,10H2,1H3,(H,12,13);1-2H2,(H,5,6)(H,7,8);;/q;;;2*+2/p-4/t2*6?,7-,8-;;;/m11.../s1
InChIKeyVWTMWHZVSDEZKB-KIVCNYHOSA-J
MW876.72 g/mol
LogP-4.77
Rot. Bonds9

About bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+))

bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+)) (PubChem CID 71481504) has the molecular formula C22H38N4O8Pt2 and a molecular weight of 876.72 g/mol. Its IUPAC name is bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+)).

Molecular Properties

Compound Namebis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+))
PubChem CID71481504
Molecular FormulaC22H38N4O8Pt2
Molecular Weight876.72 g/mol
Exact Mass876.20
IUPAC Namebis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+))
SMILESCC(N[C@@H]1CCCC[C@H]1N)C(=O)[O-].CC(N[C@@H]1CCCC[C@H]1N)C(=O)[O-].O=C([O-])CCC(=O)[O-].[Pt+2].[Pt+2]
InChIInChI=1S/2C9H18N2O2.C4H6O4.2Pt/c2*1-6(9(12)13)11-8-5-3-2-4-7(8)10;5-3(6)1-2-4(7)8;;/h2*6-8,11H,2-5,10H2,1H3,(H,12,13);1-2H2,(H,5,6)(H,7,8);;/q;;;2*+2/p-4/t2*6?,7-,8-;;;/m11.../s1
InChIKeyVWTMWHZVSDEZKB-KIVCNYHOSA-J
XLogP-4.77
TPSA236.62 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.72
LogP ≤ 5-4.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+)) with MolForge

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Related Compounds

bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);cyclobutane-1,1-dicarboxylate;bis(platinum(2+))
CID 71481664
platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 171040749
N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide
CID 103805727
trans-(1R,2R)-2-N-[(2R)-2-[[(1R,2R)-2-aminocyclohexyl]amino]propyl]cyclohexane-1,2-diamine
CID 69355597
trans-(1R,2R)-2-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine;dihydrochloride
CID 139240197
platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride
CID 76683836
(2R,3R)-2,3-dihydroxybutanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 175900001
(2S)-2-[[amino(hydroxy)phosphinimyl]amino]pentanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 10369770
N-(2-aminocyclohexyl)-3-methylpentanamide
CID 114875574
2-[(2-ethylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 61467050
N-(2-aminocyclohexyl)propanamide
CID 61036997
N-[(1R,2R)-2-aminocyclohexyl]-2-cyclopropylpropanamide
CID 103805761

Frequently Asked Questions

What is the IUPAC name of bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+))?
The IUPAC name of bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+)) (CID 71481504) is bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+)).
What is the SMILES notation for bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+))?
The canonical SMILES for bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+)) is CC(N[C@@H]1CCCC[C@H]1N)C(=O)[O-].CC(N[C@@H]1CCCC[C@H]1N)C(=O)[O-].O=C([O-])CCC(=O)[O-].[Pt+2].[Pt+2].
What is the InChIKey of bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+))?
The InChIKey is VWTMWHZVSDEZKB-KIVCNYHOSA-J. The full InChI is InChI=1S/2C9H18N2O2.C4H6O4.2Pt/c2*1-6(9(12)13)11-8-5-3-2-4-7(8)10;5-3(6)1-2-4(7)8;;/h2*6-8,11H,2-5,10H2,1H3,(H,12,13);1-2H2,(H,5,6)(H,7,8);;/q;;;2*+2/p-4/t2*6?,7-,8-;;;/m11.../s1.
What are the key properties of bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+))?
bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+)) has a molecular weight of 876.72 g/mol, XLogP of -4.77, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+)) is sourced from PubChem (CID 71481504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).