bis(1,2-dicarboxyethyl)azaniumylideneazanide

C8H10N2O8 — CID 87575756

IUPACbis(1,2-dicarboxyethyl)azaniumylideneazanide
SMILES[N-]=[N+](C(CC(=O)O)C(=O)O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C8H10N2O8/c9-10(3(7(15)16)1-5(11)12)4(8(17)18)2-6(13)14/h3-4H,1-2H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKeyGPPZSXOXUAWDMG-UHFFFAOYSA-N
MW262.17 g/mol
LogP-1.12
Rot. Bonds8

About bis(1,2-dicarboxyethyl)azaniumylideneazanide

bis(1,2-dicarboxyethyl)azaniumylideneazanide (PubChem CID 87575756) has the molecular formula C8H10N2O8 and a molecular weight of 262.17 g/mol. Its IUPAC name is bis(1,2-dicarboxyethyl)azaniumylideneazanide.

Molecular Properties

Compound Namebis(1,2-dicarboxyethyl)azaniumylideneazanide
PubChem CID87575756
Molecular FormulaC8H10N2O8
Molecular Weight262.17 g/mol
Exact Mass262.04
IUPAC Namebis(1,2-dicarboxyethyl)azaniumylideneazanide
SMILES[N-]=[N+](C(CC(=O)O)C(=O)O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C8H10N2O8/c9-10(3(7(15)16)1-5(11)12)4(8(17)18)2-6(13)14/h3-4H,1-2H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKeyGPPZSXOXUAWDMG-UHFFFAOYSA-N
XLogP-1.12
TPSA174.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(1,2-dicarboxyethyl)-iminoazanium
CID 91166436
(2R)-2-bromobutanedioic acid
CID 6995506
CID 59102127
CID 59102127
carbonic acid;2-hydroxybutanedioic acid
CID 160732172
butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen
CID 173003473
trisodium;hydride;propane-1,2,3-tricarboxylic acid
CID 173014092
cobalt;2-hydroxybutanedioic acid
CID 87544145
3-bromo-3-fluoropropanoic acid
CID 10986714
3-amino-3-bromopropanoic acid
CID 88756244
2-phosphanylbutanedioic acid
CID 19911180
2-iodobutanedioic acid
CID 21453258
2-hydroxybutanedioic acid;iron
CID 174146167

Frequently Asked Questions

What is the IUPAC name of bis(1,2-dicarboxyethyl)azaniumylideneazanide?
The IUPAC name of bis(1,2-dicarboxyethyl)azaniumylideneazanide (CID 87575756) is bis(1,2-dicarboxyethyl)azaniumylideneazanide.
What is the SMILES notation for bis(1,2-dicarboxyethyl)azaniumylideneazanide?
The canonical SMILES for bis(1,2-dicarboxyethyl)azaniumylideneazanide is [N-]=[N+](C(CC(=O)O)C(=O)O)C(CC(=O)O)C(=O)O.
What is the InChIKey of bis(1,2-dicarboxyethyl)azaniumylideneazanide?
The InChIKey is GPPZSXOXUAWDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O8/c9-10(3(7(15)16)1-5(11)12)4(8(17)18)2-6(13)14/h3-4H,1-2H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18).
What are the key properties of bis(1,2-dicarboxyethyl)azaniumylideneazanide?
bis(1,2-dicarboxyethyl)azaniumylideneazanide has a molecular weight of 262.17 g/mol, XLogP of -1.12, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2-dicarboxyethyl)azaniumylideneazanide is sourced from PubChem (CID 87575756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).