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

C14H16N2O6Pt — CID 138396976

IUPAC5-carboxybenzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+)
SMILESNC1CCCC1N.O=C([O-])c1cc(C(=O)[O-])cc(C(=O)O)c1.[Pt+2]
InChIInChI=1S/C9H6O6.C5H12N2.Pt/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;6-4-2-1-3-5(4)7;/h1-3H,(H,10,11)(H,12,13)(H,14,15);4-5H,1-3,6-7H2;/q;;+2/p-2
InChIKeySWBPPBHYQJEXQV-UHFFFAOYSA-L
MW503.37 g/mol
LogP-2.07
Rot. Bonds3

About 5-carboxybenzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+)

5-carboxybenzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+) (PubChem CID 138396976) has the molecular formula C14H16N2O6Pt and a molecular weight of 503.37 g/mol. Its IUPAC name is 5-carboxybenzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+).

Molecular Properties

Compound Name5-carboxybenzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+)
PubChem CID138396976
Molecular FormulaC14H16N2O6Pt
Molecular Weight503.37 g/mol
Exact Mass503.07
IUPAC Name5-carboxybenzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+)
SMILESNC1CCCC1N.O=C([O-])c1cc(C(=O)[O-])cc(C(=O)O)c1.[Pt+2]
InChIInChI=1S/C9H6O6.C5H12N2.Pt/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;6-4-2-1-3-5(4)7;/h1-3H,(H,10,11)(H,12,13)(H,14,15);4-5H,1-3,6-7H2;/q;;+2/p-2
InChIKeySWBPPBHYQJEXQV-UHFFFAOYSA-L
XLogP-2.07
TPSA169.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.37
LogP ≤ 5-2.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-carboxybenzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+)?
The IUPAC name of 5-carboxybenzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+) (CID 138396976) is 5-carboxybenzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+).
What is the SMILES notation for 5-carboxybenzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+)?
The canonical SMILES for 5-carboxybenzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+) is NC1CCCC1N.O=C([O-])c1cc(C(=O)[O-])cc(C(=O)O)c1.[Pt+2].
What is the InChIKey of 5-carboxybenzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+)?
The InChIKey is SWBPPBHYQJEXQV-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H6O6.C5H12N2.Pt/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;6-4-2-1-3-5(4)7;/h1-3H,(H,10,11)(H,12,13)(H,14,15);4-5H,1-3,6-7H2;/q;;+2/p-2.
What are the key properties of 5-carboxybenzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+)?
5-carboxybenzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+) has a molecular weight of 503.37 g/mol, XLogP of -2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carboxybenzene-1,3-dicarboxylate;cyclopentane-1,2-diamine;platinum(2+) is sourced from PubChem (CID 138396976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).