bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]acetic acid);bis(platinum(2+));sulfuric acid

C16H34N4O8Pt2S+4 — CID 54754171

IUPACbis(2-[[(1R,2R)-2-aminocyclohexyl]amino]acetic acid);bis(platinum(2+));sulfuric acid
SMILESN[C@@H]1CCCC[C@H]1NCC(=O)O.N[C@@H]1CCCC[C@H]1NCC(=O)O.O=S(=O)(O)O.[Pt+2].[Pt+2]
InChIInChI=1S/2C8H16N2O2.H2O4S.2Pt/c2*9-6-3-1-2-4-7(6)10-5-8(11)12;1-5(2,3)4;;/h2*6-7,10H,1-5,9H2,(H,11,12);(H2,1,2,3,4);;/q;;;2*+2/t2*6-,7-;;;/m11.../s1
InChIKeyQBQIFYVBKDIHNX-FCVKKMEESA-N
MW832.69 g/mol
LogP-0.80
Rot. Bonds6

About bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]acetic acid);bis(platinum(2+));sulfuric acid

bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]acetic acid);bis(platinum(2+));sulfuric acid (PubChem CID 54754171) has the molecular formula C16H34N4O8Pt2S+4 and a molecular weight of 832.69 g/mol. Its IUPAC name is bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]acetic acid);bis(platinum(2+));sulfuric acid.

Molecular Properties

Compound Namebis(2-[[(1R,2R)-2-aminocyclohexyl]amino]acetic acid);bis(platinum(2+));sulfuric acid
PubChem CID54754171
Molecular FormulaC16H34N4O8Pt2S+4
Molecular Weight832.69 g/mol
Exact Mass832.14
IUPAC Namebis(2-[[(1R,2R)-2-aminocyclohexyl]amino]acetic acid);bis(platinum(2+));sulfuric acid
SMILESN[C@@H]1CCCC[C@H]1NCC(=O)O.N[C@@H]1CCCC[C@H]1NCC(=O)O.O=S(=O)(O)O.[Pt+2].[Pt+2]
InChIInChI=1S/2C8H16N2O2.H2O4S.2Pt/c2*9-6-3-1-2-4-7(6)10-5-8(11)12;1-5(2,3)4;;/h2*6-7,10H,1-5,9H2,(H,11,12);(H2,1,2,3,4);;/q;;;2*+2/t2*6-,7-;;;/m11.../s1
InChIKeyQBQIFYVBKDIHNX-FCVKKMEESA-N
XLogP-0.80
TPSA225.30 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.69
LogP ≤ 5-0.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hydroxycyclohexyl)amino]acetic acid
CID 60886714
3-[(2-aminocycloheptyl)sulfamoyl]propanoic acid
CID 63258358
2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid
CID 93286937
2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid
CID 96885494
trans-(1S,2S)-2-N-[2-[[(1S,2S)-2-(2-aminoprop-2-enylamino)cyclohexyl]amino]ethyl]cyclohexane-1,2-diamine
CID 140772508
2-[[(1S,2R)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid
CID 96554696
2-[[(1R,2S)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid
CID 96554699
2-[[(1R,2R)-2-[acetyl(ethyl)amino]cyclohexyl]amino]acetic acid
CID 96555299
2-[[(1R,2R)-2-[acetyl(methyl)amino]cyclohexyl]amino]acetic acid
CID 96554681
1-N-ethylcyclononane-1,2-diamine
CID 123480411
2-ethoxyacetic acid;platinum(4+);bis(trans-(1R,2R)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine)
CID 54591000
N-(2-aminocyclohexyl)-2-(methylamino)acetamide
CID 130622235

Frequently Asked Questions

What is the IUPAC name of bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]acetic acid);bis(platinum(2+));sulfuric acid?
The IUPAC name of bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]acetic acid);bis(platinum(2+));sulfuric acid (CID 54754171) is bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]acetic acid);bis(platinum(2+));sulfuric acid.
What is the SMILES notation for bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]acetic acid);bis(platinum(2+));sulfuric acid?
The canonical SMILES for bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]acetic acid);bis(platinum(2+));sulfuric acid is N[C@@H]1CCCC[C@H]1NCC(=O)O.N[C@@H]1CCCC[C@H]1NCC(=O)O.O=S(=O)(O)O.[Pt+2].[Pt+2].
What is the InChIKey of bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]acetic acid);bis(platinum(2+));sulfuric acid?
The InChIKey is QBQIFYVBKDIHNX-FCVKKMEESA-N. The full InChI is InChI=1S/2C8H16N2O2.H2O4S.2Pt/c2*9-6-3-1-2-4-7(6)10-5-8(11)12;1-5(2,3)4;;/h2*6-7,10H,1-5,9H2,(H,11,12);(H2,1,2,3,4);;/q;;;2*+2/t2*6-,7-;;;/m11.../s1.
What are the key properties of bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]acetic acid);bis(platinum(2+));sulfuric acid?
bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]acetic acid);bis(platinum(2+));sulfuric acid has a molecular weight of 832.69 g/mol, XLogP of -0.80, 6 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[[(1R,2R)-2-aminocyclohexyl]amino]acetic acid);bis(platinum(2+));sulfuric acid is sourced from PubChem (CID 54754171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).