(Z)-4-oxo-4-[2-[2-(2-propoxyethoxy)ethyl]hydrazinyl]oxybut-2-enoic acid

C11H20N2O6 — CID 122650241

IUPAC(Z)-4-oxo-4-[2-[2-(2-propoxyethoxy)ethyl]hydrazinyl]oxybut-2-enoic acid
SMILESCCCOCCOCCNNOC(=O)/C=C\C(=O)O
InChIInChI=1S/C11H20N2O6/c1-2-6-17-8-9-18-7-5-12-13-19-11(16)4-3-10(14)15/h3-4,12-13H,2,5-9H2,1H3,(H,14,15)/b4-3-
InChIKeyVFDRRUVNVPQZLO-ARJAWSKDSA-N
MW276.29 g/mol
LogP-0.38
Rot. Bonds12

About (Z)-4-oxo-4-[2-[2-(2-propoxyethoxy)ethyl]hydrazinyl]oxybut-2-enoic acid

(Z)-4-oxo-4-[2-[2-(2-propoxyethoxy)ethyl]hydrazinyl]oxybut-2-enoic acid (PubChem CID 122650241) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is (Z)-4-oxo-4-[2-[2-(2-propoxyethoxy)ethyl]hydrazinyl]oxybut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-oxo-4-[2-[2-(2-propoxyethoxy)ethyl]hydrazinyl]oxybut-2-enoic acid
PubChem CID122650241
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name(Z)-4-oxo-4-[2-[2-(2-propoxyethoxy)ethyl]hydrazinyl]oxybut-2-enoic acid
SMILESCCCOCCOCCNNOC(=O)/C=C\C(=O)O
InChIInChI=1S/C11H20N2O6/c1-2-6-17-8-9-18-7-5-12-13-19-11(16)4-3-10(14)15/h3-4,12-13H,2,5-9H2,1H3,(H,14,15)/b4-3-
InChIKeyVFDRRUVNVPQZLO-ARJAWSKDSA-N
XLogP-0.38
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-but-2-enedioic acid;propylamino but-2-enoate
CID 175709551
(Z)-4-oxo-6-propoxyhex-2-enoic acid
CID 134452151
(Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]oxy-4-oxobut-2-enoic acid
CID 118402520
2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 123981606
4-(2-decoxyethoxy)-4-oxobut-2-enoic acid
CID 154239717
4-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-enoic acid
CID 57356593
(Z)-4-(2-octadecoxyethoxy)-4-oxobut-2-enoic acid
CID 139634873
2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 90995903
bis(hexylamino) (Z)-but-2-enedioate
CID 174812524
4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid
CID 91252711
(Z)-4-butoxy-4-oxobut-2-enoic acid
CID 175730618
(E)-4-ethoxy-4-oxobut-2-enoic acid;zinc
CID 6450328

Frequently Asked Questions

What is the IUPAC name of (Z)-4-oxo-4-[2-[2-(2-propoxyethoxy)ethyl]hydrazinyl]oxybut-2-enoic acid?
The IUPAC name of (Z)-4-oxo-4-[2-[2-(2-propoxyethoxy)ethyl]hydrazinyl]oxybut-2-enoic acid (CID 122650241) is (Z)-4-oxo-4-[2-[2-(2-propoxyethoxy)ethyl]hydrazinyl]oxybut-2-enoic acid.
What is the SMILES notation for (Z)-4-oxo-4-[2-[2-(2-propoxyethoxy)ethyl]hydrazinyl]oxybut-2-enoic acid?
The canonical SMILES for (Z)-4-oxo-4-[2-[2-(2-propoxyethoxy)ethyl]hydrazinyl]oxybut-2-enoic acid is CCCOCCOCCNNOC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-oxo-4-[2-[2-(2-propoxyethoxy)ethyl]hydrazinyl]oxybut-2-enoic acid?
The InChIKey is VFDRRUVNVPQZLO-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-2-6-17-8-9-18-7-5-12-13-19-11(16)4-3-10(14)15/h3-4,12-13H,2,5-9H2,1H3,(H,14,15)/b4-3-.
What are the key properties of (Z)-4-oxo-4-[2-[2-(2-propoxyethoxy)ethyl]hydrazinyl]oxybut-2-enoic acid?
(Z)-4-oxo-4-[2-[2-(2-propoxyethoxy)ethyl]hydrazinyl]oxybut-2-enoic acid has a molecular weight of 276.29 g/mol, XLogP of -0.38, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-oxo-4-[2-[2-(2-propoxyethoxy)ethyl]hydrazinyl]oxybut-2-enoic acid is sourced from PubChem (CID 122650241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).