azane;bis((E)-but-2-enedioic acid)

C8H11NO8 — CID 87996706

IUPACazane;bis((E)-but-2-enedioic acid)
SMILESN.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O
InChIInChI=1S/2C4H4O4.H3N/c2*5-3(6)1-2-4(7)8;/h2*1-2H,(H,5,6)(H,7,8);1H3/b2*2-1+;
InChIKeyMEVZNCDJBQTRFT-BUOKYLHBSA-N
MW249.18 g/mol
LogP-0.41
Rot. Bonds4

About azane;bis((E)-but-2-enedioic acid)

azane;bis((E)-but-2-enedioic acid) (PubChem CID 87996706) has the molecular formula C8H11NO8 and a molecular weight of 249.18 g/mol. Its IUPAC name is azane;bis((E)-but-2-enedioic acid).

Molecular Properties

Compound Nameazane;bis((E)-but-2-enedioic acid)
PubChem CID87996706
Molecular FormulaC8H11NO8
Molecular Weight249.18 g/mol
Exact Mass249.05
IUPAC Nameazane;bis((E)-but-2-enedioic acid)
SMILESN.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O
InChIInChI=1S/2C4H4O4.H3N/c2*5-3(6)1-2-4(7)8;/h2*1-2H,(H,5,6)(H,7,8);1H3/b2*2-1+;
InChIKeyMEVZNCDJBQTRFT-BUOKYLHBSA-N
XLogP-0.41
TPSA184.20 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

azane;(Z)-but-2-enedioic acid;zirconium
CID 87185772
(E)-but-2-enedioic acid;iron
CID 5478817
(Z)-but-2-enedioic acid;copper(1+)
CID 139263227
(Z)-but-2-enedioic acid;manganese
CID 87121555
CID 87073039
CID 87073039
(Z)-but-2-enedioic acid;nickel
CID 24883656
tris(but-2-enedioic acid);hydrate
CID 173409563
(Z)-but-2-enedioic acid;hydrate
CID 86620054
CID 76552400
CID 76552400
but-2-enedioic acid;dihydrate
CID 76541248
(Z)-but-2-enedioic acid;gold
CID 174837134
(Z)-but-2-enedioic acid;neodymium
CID 87072249

Frequently Asked Questions

What is the IUPAC name of azane;bis((E)-but-2-enedioic acid)?
The IUPAC name of azane;bis((E)-but-2-enedioic acid) (CID 87996706) is azane;bis((E)-but-2-enedioic acid).
What is the SMILES notation for azane;bis((E)-but-2-enedioic acid)?
The canonical SMILES for azane;bis((E)-but-2-enedioic acid) is N.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.
What is the InChIKey of azane;bis((E)-but-2-enedioic acid)?
The InChIKey is MEVZNCDJBQTRFT-BUOKYLHBSA-N. The full InChI is InChI=1S/2C4H4O4.H3N/c2*5-3(6)1-2-4(7)8;/h2*1-2H,(H,5,6)(H,7,8);1H3/b2*2-1+;.
What are the key properties of azane;bis((E)-but-2-enedioic acid)?
azane;bis((E)-but-2-enedioic acid) has a molecular weight of 249.18 g/mol, XLogP of -0.41, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis((E)-but-2-enedioic acid) is sourced from PubChem (CID 87996706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).