bis(3-amino-4-methoxybenzoic acid);(2-methanidylcyclohexyl)azanide;platinum(2+)

C23H31N3O6Pt — CID 153201338

IUPACbis(3-amino-4-methoxybenzoic acid);(2-methanidylcyclohexyl)azanide;platinum(2+)
SMILESCOc1ccc(C(=O)O)cc1N.COc1ccc(C(=O)O)cc1N.[CH2-]C1CCCCC1[NH-].[Pt+2]
InChIInChI=1S/2C8H9NO3.C7H13N.Pt/c2*1-12-7-3-2-5(8(10)11)4-6(7)9;1-6-4-2-3-5-7(6)8;/h2*2-4H,9H2,1H3,(H,10,11);6-8H,1-5H2;/q;;-2;+2
InChIKeyGMGBQVPIZHTARR-UHFFFAOYSA-N
MW640.59 g/mol
LogP4.38
Rot. Bonds4

About bis(3-amino-4-methoxybenzoic acid);(2-methanidylcyclohexyl)azanide;platinum(2+)

bis(3-amino-4-methoxybenzoic acid);(2-methanidylcyclohexyl)azanide;platinum(2+) (PubChem CID 153201338) has the molecular formula C23H31N3O6Pt and a molecular weight of 640.59 g/mol. Its IUPAC name is bis(3-amino-4-methoxybenzoic acid);(2-methanidylcyclohexyl)azanide;platinum(2+).

Molecular Properties

Compound Namebis(3-amino-4-methoxybenzoic acid);(2-methanidylcyclohexyl)azanide;platinum(2+)
PubChem CID153201338
Molecular FormulaC23H31N3O6Pt
Molecular Weight640.59 g/mol
Exact Mass640.19
IUPAC Namebis(3-amino-4-methoxybenzoic acid);(2-methanidylcyclohexyl)azanide;platinum(2+)
SMILESCOc1ccc(C(=O)O)cc1N.COc1ccc(C(=O)O)cc1N.[CH2-]C1CCCCC1[NH-].[Pt+2]
InChIInChI=1S/2C8H9NO3.C7H13N.Pt/c2*1-12-7-3-2-5(8(10)11)4-6(7)9;1-6-4-2-3-5-7(6)8;/h2*2-4H,9H2,1H3,(H,10,11);6-8H,1-5H2;/q;;-2;+2
InChIKeyGMGBQVPIZHTARR-UHFFFAOYSA-N
XLogP4.38
TPSA168.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.59
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-methoxybenzoic acid;3,4-dimethoxyaniline
CID 158690022
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CID 82747080
3-amino-N-(2-cyclopentylethyl)-4-methoxybenzamide
CID 54932498
1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-one
CID 98017254
3-cyclohexyl-4-methoxybenzoic acid
CID 21199438
1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one
CID 82258397
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
3-amino-4-methoxy-N-(2-methoxycyclopentyl)benzamide
CID 62088894
(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052501
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 28690073
(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955038

Frequently Asked Questions

What is the IUPAC name of bis(3-amino-4-methoxybenzoic acid);(2-methanidylcyclohexyl)azanide;platinum(2+)?
The IUPAC name of bis(3-amino-4-methoxybenzoic acid);(2-methanidylcyclohexyl)azanide;platinum(2+) (CID 153201338) is bis(3-amino-4-methoxybenzoic acid);(2-methanidylcyclohexyl)azanide;platinum(2+).
What is the SMILES notation for bis(3-amino-4-methoxybenzoic acid);(2-methanidylcyclohexyl)azanide;platinum(2+)?
The canonical SMILES for bis(3-amino-4-methoxybenzoic acid);(2-methanidylcyclohexyl)azanide;platinum(2+) is COc1ccc(C(=O)O)cc1N.COc1ccc(C(=O)O)cc1N.[CH2-]C1CCCCC1[NH-].[Pt+2].
What is the InChIKey of bis(3-amino-4-methoxybenzoic acid);(2-methanidylcyclohexyl)azanide;platinum(2+)?
The InChIKey is GMGBQVPIZHTARR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H9NO3.C7H13N.Pt/c2*1-12-7-3-2-5(8(10)11)4-6(7)9;1-6-4-2-3-5-7(6)8;/h2*2-4H,9H2,1H3,(H,10,11);6-8H,1-5H2;/q;;-2;+2.
What are the key properties of bis(3-amino-4-methoxybenzoic acid);(2-methanidylcyclohexyl)azanide;platinum(2+)?
bis(3-amino-4-methoxybenzoic acid);(2-methanidylcyclohexyl)azanide;platinum(2+) has a molecular weight of 640.59 g/mol, XLogP of 4.38, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-amino-4-methoxybenzoic acid);(2-methanidylcyclohexyl)azanide;platinum(2+) is sourced from PubChem (CID 153201338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).