cyclobutane-1,1-dicarboxylate;4-[1,2-diamino-2-(4-hydroxyphenyl)ethyl]phenol;platinum(2+)

C20H22N2O6Pt — CID 88681091

IUPACcyclobutane-1,1-dicarboxylate;4-[1,2-diamino-2-(4-hydroxyphenyl)ethyl]phenol;platinum(2+)
SMILESNC(c1ccc(O)cc1)C(N)c1ccc(O)cc1.O=C([O-])C1(C(=O)[O-])CCC1.[Pt+2]
InChIInChI=1S/C14H16N2O2.C6H8O4.Pt/c15-13(9-1-5-11(17)6-2-9)14(16)10-3-7-12(18)8-4-10;7-4(8)6(5(9)10)2-1-3-6;/h1-8,13-14,17-18H,15-16H2;1-3H2,(H,7,8)(H,9,10);/q;;+2/p-2
InChIKeyYDZQPJNQVOCBOQ-UHFFFAOYSA-L
MW581.48 g/mol
LogP-0.55
Rot. Bonds5

About cyclobutane-1,1-dicarboxylate;4-[1,2-diamino-2-(4-hydroxyphenyl)ethyl]phenol;platinum(2+)

cyclobutane-1,1-dicarboxylate;4-[1,2-diamino-2-(4-hydroxyphenyl)ethyl]phenol;platinum(2+) (PubChem CID 88681091) has the molecular formula C20H22N2O6Pt and a molecular weight of 581.48 g/mol. Its IUPAC name is cyclobutane-1,1-dicarboxylate;4-[1,2-diamino-2-(4-hydroxyphenyl)ethyl]phenol;platinum(2+).

Molecular Properties

Compound Namecyclobutane-1,1-dicarboxylate;4-[1,2-diamino-2-(4-hydroxyphenyl)ethyl]phenol;platinum(2+)
PubChem CID88681091
Molecular FormulaC20H22N2O6Pt
Molecular Weight581.48 g/mol
Exact Mass581.11
IUPAC Namecyclobutane-1,1-dicarboxylate;4-[1,2-diamino-2-(4-hydroxyphenyl)ethyl]phenol;platinum(2+)
SMILESNC(c1ccc(O)cc1)C(N)c1ccc(O)cc1.O=C([O-])C1(C(=O)[O-])CCC1.[Pt+2]
InChIInChI=1S/C14H16N2O2.C6H8O4.Pt/c15-13(9-1-5-11(17)6-2-9)14(16)10-3-7-12(18)8-4-10;7-4(8)6(5(9)10)2-1-3-6;/h1-8,13-14,17-18H,15-16H2;1-3H2,(H,7,8)(H,9,10);/q;;+2/p-2
InChIKeyYDZQPJNQVOCBOQ-UHFFFAOYSA-L
XLogP-0.55
TPSA172.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.48
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclobutane-1,1-dicarboxylate;4-[1,2-diamino-2-(4-hydroxyphenyl)ethyl]phenol;platinum(2+)?
The IUPAC name of cyclobutane-1,1-dicarboxylate;4-[1,2-diamino-2-(4-hydroxyphenyl)ethyl]phenol;platinum(2+) (CID 88681091) is cyclobutane-1,1-dicarboxylate;4-[1,2-diamino-2-(4-hydroxyphenyl)ethyl]phenol;platinum(2+).
What is the SMILES notation for cyclobutane-1,1-dicarboxylate;4-[1,2-diamino-2-(4-hydroxyphenyl)ethyl]phenol;platinum(2+)?
The canonical SMILES for cyclobutane-1,1-dicarboxylate;4-[1,2-diamino-2-(4-hydroxyphenyl)ethyl]phenol;platinum(2+) is NC(c1ccc(O)cc1)C(N)c1ccc(O)cc1.O=C([O-])C1(C(=O)[O-])CCC1.[Pt+2].
What is the InChIKey of cyclobutane-1,1-dicarboxylate;4-[1,2-diamino-2-(4-hydroxyphenyl)ethyl]phenol;platinum(2+)?
The InChIKey is YDZQPJNQVOCBOQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H16N2O2.C6H8O4.Pt/c15-13(9-1-5-11(17)6-2-9)14(16)10-3-7-12(18)8-4-10;7-4(8)6(5(9)10)2-1-3-6;/h1-8,13-14,17-18H,15-16H2;1-3H2,(H,7,8)(H,9,10);/q;;+2/p-2.
What are the key properties of cyclobutane-1,1-dicarboxylate;4-[1,2-diamino-2-(4-hydroxyphenyl)ethyl]phenol;platinum(2+)?
cyclobutane-1,1-dicarboxylate;4-[1,2-diamino-2-(4-hydroxyphenyl)ethyl]phenol;platinum(2+) has a molecular weight of 581.48 g/mol, XLogP of -0.55, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane-1,1-dicarboxylate;4-[1,2-diamino-2-(4-hydroxyphenyl)ethyl]phenol;platinum(2+) is sourced from PubChem (CID 88681091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).