benzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+)

C13H16N2O4Pt — CID 3065513

IUPACbenzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+)
SMILESNC1CCCC1N.O=C([O-])c1cccc(C(=O)[O-])c1.[Pt+2]
InChIInChI=1S/C8H6O4.C5H12N2.Pt/c9-7(10)5-2-1-3-6(4-5)8(11)12;6-4-2-1-3-5(4)7;/h1-4H,(H,9,10)(H,11,12);4-5H,1-3,6-7H2;/q;;+2/p-2
InChIKeyYQGXSYZYMOLARA-UHFFFAOYSA-L
MW459.36 g/mol
LogP-1.76
Rot. Bonds2

About benzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+)

benzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+) (PubChem CID 3065513) has the molecular formula C13H16N2O4Pt and a molecular weight of 459.36 g/mol. Its IUPAC name is benzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+).

Molecular Properties

Compound Namebenzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+)
PubChem CID3065513
Molecular FormulaC13H16N2O4Pt
Molecular Weight459.36 g/mol
Exact Mass459.08
IUPAC Namebenzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+)
SMILESNC1CCCC1N.O=C([O-])c1cccc(C(=O)[O-])c1.[Pt+2]
InChIInChI=1S/C8H6O4.C5H12N2.Pt/c9-7(10)5-2-1-3-6(4-5)8(11)12;6-4-2-1-3-5(4)7;/h1-4H,(H,9,10)(H,11,12);4-5H,1-3,6-7H2;/q;;+2/p-2
InChIKeyYQGXSYZYMOLARA-UHFFFAOYSA-L
XLogP-1.76
TPSA132.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.36
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+)?
The IUPAC name of benzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+) (CID 3065513) is benzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+).
What is the SMILES notation for benzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+)?
The canonical SMILES for benzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+) is NC1CCCC1N.O=C([O-])c1cccc(C(=O)[O-])c1.[Pt+2].
What is the InChIKey of benzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+)?
The InChIKey is YQGXSYZYMOLARA-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H6O4.C5H12N2.Pt/c9-7(10)5-2-1-3-6(4-5)8(11)12;6-4-2-1-3-5(4)7;/h1-4H,(H,9,10)(H,11,12);4-5H,1-3,6-7H2;/q;;+2/p-2.
What are the key properties of benzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+)?
benzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+) has a molecular weight of 459.36 g/mol, XLogP of -1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+) is sourced from PubChem (CID 3065513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).