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

C24H40N4O8Pt2 — CID 71481664

IUPACbis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);cyclobutane-1,1-dicarboxylate;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-])C1(C(=O)[O-])CCC1.[Pt+2].[Pt+2]
InChIInChI=1S/2C9H18N2O2.C6H8O4.2Pt/c2*1-6(9(12)13)11-8-5-3-2-4-7(8)10;7-4(8)6(5(9)10)2-1-3-6;;/h2*6-8,11H,2-5,10H2,1H3,(H,12,13);1-3H2,(H,7,8)(H,9,10);;/q;;;2*+2/p-4/t2*6?,7-,8-;;;/m11.../s1
InChIKeyIDAOZASXKQJEBE-KIVCNYHOSA-J
MW902.76 g/mol
LogP-4.38
Rot. Bonds8

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

bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);cyclobutane-1,1-dicarboxylate;bis(platinum(2+)) (PubChem CID 71481664) has the molecular formula C24H40N4O8Pt2 and a molecular weight of 902.76 g/mol. Its IUPAC name is bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);cyclobutane-1,1-dicarboxylate;bis(platinum(2+)).

Molecular Properties

Compound Namebis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);cyclobutane-1,1-dicarboxylate;bis(platinum(2+))
PubChem CID71481664
Molecular FormulaC24H40N4O8Pt2
Molecular Weight902.76 g/mol
Exact Mass902.21
IUPAC Namebis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);cyclobutane-1,1-dicarboxylate;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-])C1(C(=O)[O-])CCC1.[Pt+2].[Pt+2]
InChIInChI=1S/2C9H18N2O2.C6H8O4.2Pt/c2*1-6(9(12)13)11-8-5-3-2-4-7(8)10;7-4(8)6(5(9)10)2-1-3-6;;/h2*6-8,11H,2-5,10H2,1H3,(H,12,13);1-3H2,(H,7,8)(H,9,10);;/q;;;2*+2/p-4/t2*6?,7-,8-;;;/m11.../s1
InChIKeyIDAOZASXKQJEBE-KIVCNYHOSA-J
XLogP-4.38
TPSA236.62 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.76
LogP ≤ 5-4.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);butanedioate;bis(platinum(2+))
CID 71481504
azane;cyclobutane-1,1-dicarboxylate;2-methylpropan-1-amine;platinum(2+)
CID 10048146
oxidanium;azane;cyclobutane-1,1-dicarboxylate;platinum(2+)
CID 178184441
zinc cyclobutane-1,1-dicarboxylate
CID 175896240
copper cyclobutane-1,1-dicarboxylate
CID 70616002
1-[(3-methoxyphenyl)methyl]azetidine-3,3-dicarboxylate;platinum(2+);trans-(1R,2R)-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 76685184
(2R,3R)-2,3-dihydroxybutanedioate;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 175900001
N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide
CID 103805727
N-[(1R,2R)-2-aminocyclohexyl]-2-cyclopropylpropanamide
CID 103805761
tris(cyclohexane-1,1-dicarboxylate);molybdenum
CID 173220469
cyclohexane-1,2-diamine;2-[2-(ethylamino)ethyl]propanedioate;platinum(2+)
CID 71481438
N-(2-aminocycloheptyl)-2-cyclopropylpropanamide
CID 83149684

Frequently Asked Questions

What is the IUPAC name of bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);cyclobutane-1,1-dicarboxylate;bis(platinum(2+))?
The IUPAC name of bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);cyclobutane-1,1-dicarboxylate;bis(platinum(2+)) (CID 71481664) is bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);cyclobutane-1,1-dicarboxylate;bis(platinum(2+)).
What is the SMILES notation for bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);cyclobutane-1,1-dicarboxylate;bis(platinum(2+))?
The canonical SMILES for bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);cyclobutane-1,1-dicarboxylate;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-])C1(C(=O)[O-])CCC1.[Pt+2].[Pt+2].
What is the InChIKey of bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);cyclobutane-1,1-dicarboxylate;bis(platinum(2+))?
The InChIKey is IDAOZASXKQJEBE-KIVCNYHOSA-J. The full InChI is InChI=1S/2C9H18N2O2.C6H8O4.2Pt/c2*1-6(9(12)13)11-8-5-3-2-4-7(8)10;7-4(8)6(5(9)10)2-1-3-6;;/h2*6-8,11H,2-5,10H2,1H3,(H,12,13);1-3H2,(H,7,8)(H,9,10);;/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);cyclobutane-1,1-dicarboxylate;bis(platinum(2+))?
bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]propanoate);cyclobutane-1,1-dicarboxylate;bis(platinum(2+)) has a molecular weight of 902.76 g/mol, XLogP of -4.38, 8 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);cyclobutane-1,1-dicarboxylate;bis(platinum(2+)) is sourced from PubChem (CID 71481664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).