4-hydrazinyl-4-oxobut-2-enoic acid;2-(2-hydroxyethylamino)ethanol

C8H17N3O5 — CID 173409426

IUPAC4-hydrazinyl-4-oxobut-2-enoic acid;2-(2-hydroxyethylamino)ethanol
SMILESNNC(=O)C=CC(=O)O.OCCNCCO
InChIInChI=1S/C4H6N2O3.C4H11NO2/c5-6-3(7)1-2-4(8)9;6-3-1-5-2-4-7/h1-2H,5H2,(H,6,7)(H,8,9);5-7H,1-4H2
InChIKeyRGKQZJLSGXQWJV-UHFFFAOYSA-N
MW235.24 g/mol
LogP-2.82
Rot. Bonds6

About 4-hydrazinyl-4-oxobut-2-enoic acid;2-(2-hydroxyethylamino)ethanol

4-hydrazinyl-4-oxobut-2-enoic acid;2-(2-hydroxyethylamino)ethanol (PubChem CID 173409426) has the molecular formula C8H17N3O5 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-hydrazinyl-4-oxobut-2-enoic acid;2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name4-hydrazinyl-4-oxobut-2-enoic acid;2-(2-hydroxyethylamino)ethanol
PubChem CID173409426
Molecular FormulaC8H17N3O5
Molecular Weight235.24 g/mol
Exact Mass235.12
IUPAC Name4-hydrazinyl-4-oxobut-2-enoic acid;2-(2-hydroxyethylamino)ethanol
SMILESNNC(=O)C=CC(=O)O.OCCNCCO
InChIInChI=1S/C4H6N2O3.C4H11NO2/c5-6-3(7)1-2-4(8)9;6-3-1-5-2-4-7/h1-2H,5H2,(H,6,7)(H,8,9);5-7H,1-4H2
InChIKeyRGKQZJLSGXQWJV-UHFFFAOYSA-N
XLogP-2.82
TPSA144.91 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.24
LogP ≤ 5-2.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-4-oxobut-2-enoic acid;2-(2-hydroxyethylamino)ethanol?
The IUPAC name of 4-hydrazinyl-4-oxobut-2-enoic acid;2-(2-hydroxyethylamino)ethanol (CID 173409426) is 4-hydrazinyl-4-oxobut-2-enoic acid;2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for 4-hydrazinyl-4-oxobut-2-enoic acid;2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for 4-hydrazinyl-4-oxobut-2-enoic acid;2-(2-hydroxyethylamino)ethanol is NNC(=O)C=CC(=O)O.OCCNCCO.
What is the InChIKey of 4-hydrazinyl-4-oxobut-2-enoic acid;2-(2-hydroxyethylamino)ethanol?
The InChIKey is RGKQZJLSGXQWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3.C4H11NO2/c5-6-3(7)1-2-4(8)9;6-3-1-5-2-4-7/h1-2H,5H2,(H,6,7)(H,8,9);5-7H,1-4H2.
What are the key properties of 4-hydrazinyl-4-oxobut-2-enoic acid;2-(2-hydroxyethylamino)ethanol?
4-hydrazinyl-4-oxobut-2-enoic acid;2-(2-hydroxyethylamino)ethanol has a molecular weight of 235.24 g/mol, XLogP of -2.82, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-4-oxobut-2-enoic acid;2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 173409426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).