bis(2,2-dicarboxypropyl)azaniumylideneazanide

C10H14N2O8 — CID 87510597

IUPACbis(2,2-dicarboxypropyl)azaniumylideneazanide
SMILESCC(C[N+](=[N-])CC(C)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C10H14N2O8/c1-9(5(13)14,6(15)16)3-12(11)4-10(2,7(17)18)8(19)20/h3-4H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyYEBGWGONRVLKJN-UHFFFAOYSA-N
MW290.23 g/mol
LogP-0.63
Rot. Bonds8

About bis(2,2-dicarboxypropyl)azaniumylideneazanide

bis(2,2-dicarboxypropyl)azaniumylideneazanide (PubChem CID 87510597) has the molecular formula C10H14N2O8 and a molecular weight of 290.23 g/mol. Its IUPAC name is bis(2,2-dicarboxypropyl)azaniumylideneazanide.

Molecular Properties

Compound Namebis(2,2-dicarboxypropyl)azaniumylideneazanide
PubChem CID87510597
Molecular FormulaC10H14N2O8
Molecular Weight290.23 g/mol
Exact Mass290.08
IUPAC Namebis(2,2-dicarboxypropyl)azaniumylideneazanide
SMILESCC(C[N+](=[N-])CC(C)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C10H14N2O8/c1-9(5(13)14,6(15)16)3-12(11)4-10(2,7(17)18)8(19)20/h3-4H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyYEBGWGONRVLKJN-UHFFFAOYSA-N
XLogP-0.63
TPSA174.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,2-dicarboxypropyl)azaniumylideneazanide?
The IUPAC name of bis(2,2-dicarboxypropyl)azaniumylideneazanide (CID 87510597) is bis(2,2-dicarboxypropyl)azaniumylideneazanide.
What is the SMILES notation for bis(2,2-dicarboxypropyl)azaniumylideneazanide?
The canonical SMILES for bis(2,2-dicarboxypropyl)azaniumylideneazanide is CC(C[N+](=[N-])CC(C)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O.
What is the InChIKey of bis(2,2-dicarboxypropyl)azaniumylideneazanide?
The InChIKey is YEBGWGONRVLKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O8/c1-9(5(13)14,6(15)16)3-12(11)4-10(2,7(17)18)8(19)20/h3-4H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20).
What are the key properties of bis(2,2-dicarboxypropyl)azaniumylideneazanide?
bis(2,2-dicarboxypropyl)azaniumylideneazanide has a molecular weight of 290.23 g/mol, XLogP of -0.63, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dicarboxypropyl)azaniumylideneazanide is sourced from PubChem (CID 87510597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).