potassium;chloroplatinum(1+);(2S)-4-methyl-2-[(2-oxidophenyl)methylideneamino]pentanoate

C13H15ClKNO3Pt — CID 57341344

IUPACpotassium;chloroplatinum(1+);(2S)-4-methyl-2-[(2-oxidophenyl)methylideneamino]pentanoate
SMILESCC(C)C[C@H](/N=C/c1ccccc1[O-])C(=O)[O-].Cl[Pt+].[K+]
InChIInChI=1S/C13H17NO3.ClH.K.Pt/c1-9(2)7-11(13(16)17)14-8-10-5-3-4-6-12(10)15;;;/h3-6,8-9,11,15H,7H2,1-2H3,(H,16,17);1H;;/q;;+1;+2/p-3/b14-8+;;;/t11-;;;/m0.../s1
InChIKeyWWTYJYYLANANKC-GCSZCBLPSA-K
MW502.90 g/mol
LogP-1.97
Rot. Bonds5

About potassium;chloroplatinum(1+);(2S)-4-methyl-2-[(2-oxidophenyl)methylideneamino]pentanoate

potassium;chloroplatinum(1+);(2S)-4-methyl-2-[(2-oxidophenyl)methylideneamino]pentanoate (PubChem CID 57341344) has the molecular formula C13H15ClKNO3Pt and a molecular weight of 502.90 g/mol. Its IUPAC name is potassium;chloroplatinum(1+);(2S)-4-methyl-2-[(2-oxidophenyl)methylideneamino]pentanoate.

Molecular Properties

Compound Namepotassium;chloroplatinum(1+);(2S)-4-methyl-2-[(2-oxidophenyl)methylideneamino]pentanoate
PubChem CID57341344
Molecular FormulaC13H15ClKNO3Pt
Molecular Weight502.90 g/mol
Exact Mass502.00
IUPAC Namepotassium;chloroplatinum(1+);(2S)-4-methyl-2-[(2-oxidophenyl)methylideneamino]pentanoate
SMILESCC(C)C[C@H](/N=C/c1ccccc1[O-])C(=O)[O-].Cl[Pt+].[K+]
InChIInChI=1S/C13H17NO3.ClH.K.Pt/c1-9(2)7-11(13(16)17)14-8-10-5-3-4-6-12(10)15;;;/h3-6,8-9,11,15H,7H2,1-2H3,(H,16,17);1H;;/q;;+1;+2/p-3/b14-8+;;;/t11-;;;/m0.../s1
InChIKeyWWTYJYYLANANKC-GCSZCBLPSA-K
XLogP-1.97
TPSA75.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.90
LogP ≤ 5-1.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

potassium;chloroplatinum(1+);(2S)-3-hydroxy-2-[(2-oxidophenyl)methylideneamino]propanoate
CID 57341342
trizinc;bis(2-[3-[(2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate);diacetate
CID 139058151
trizinc;bis(2-[(E)-2-[(E)-(2-oxidophenyl)methylideneamino]oxyethoxyiminomethyl]phenolate);diacetate
CID 139130496
methyl (2S)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-methylpentanoate
CID 135597963
potassium;holmium(3+);bis(2-[[(1R,2R)-2-[(2-oxidophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenolate)
CID 139247890
(2R)-2-(benzylideneamino)-4-methylpentanamide
CID 71352667
copper (NZ,1Z)-2-[4-(2-methylpropyl)phenyl]-N-[(2-oxidophenyl)methylidene]propanehydrazonate
CID 23626390
chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate)
CID 139067410
methyl 2-(benzylideneamino)-4-methylpentanoate
CID 599873
2-(2-carboxypropan-2-yliminomethyl)phenolate
CID 132595752
sodium (2S)-4-methyl-2-nitrosopentanoate
CID 141230508
(2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-methylpentanoic acid
CID 136740401

Frequently Asked Questions

What is the IUPAC name of potassium;chloroplatinum(1+);(2S)-4-methyl-2-[(2-oxidophenyl)methylideneamino]pentanoate?
The IUPAC name of potassium;chloroplatinum(1+);(2S)-4-methyl-2-[(2-oxidophenyl)methylideneamino]pentanoate (CID 57341344) is potassium;chloroplatinum(1+);(2S)-4-methyl-2-[(2-oxidophenyl)methylideneamino]pentanoate.
What is the SMILES notation for potassium;chloroplatinum(1+);(2S)-4-methyl-2-[(2-oxidophenyl)methylideneamino]pentanoate?
The canonical SMILES for potassium;chloroplatinum(1+);(2S)-4-methyl-2-[(2-oxidophenyl)methylideneamino]pentanoate is CC(C)C[C@H](/N=C/c1ccccc1[O-])C(=O)[O-].Cl[Pt+].[K+].
What is the InChIKey of potassium;chloroplatinum(1+);(2S)-4-methyl-2-[(2-oxidophenyl)methylideneamino]pentanoate?
The InChIKey is WWTYJYYLANANKC-GCSZCBLPSA-K. The full InChI is InChI=1S/C13H17NO3.ClH.K.Pt/c1-9(2)7-11(13(16)17)14-8-10-5-3-4-6-12(10)15;;;/h3-6,8-9,11,15H,7H2,1-2H3,(H,16,17);1H;;/q;;+1;+2/p-3/b14-8+;;;/t11-;;;/m0.../s1.
What are the key properties of potassium;chloroplatinum(1+);(2S)-4-methyl-2-[(2-oxidophenyl)methylideneamino]pentanoate?
potassium;chloroplatinum(1+);(2S)-4-methyl-2-[(2-oxidophenyl)methylideneamino]pentanoate has a molecular weight of 502.90 g/mol, XLogP of -1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;chloroplatinum(1+);(2S)-4-methyl-2-[(2-oxidophenyl)methylideneamino]pentanoate is sourced from PubChem (CID 57341344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).