(Z)-4-[methyl(prop-2-enyl)amino]oxy-4-oxobut-2-enoic acid

C8H11NO4 — CID 134181665

IUPAC(Z)-4-[methyl(prop-2-enyl)amino]oxy-4-oxobut-2-enoic acid
SMILESC=CCN(C)OC(=O)/C=C\C(=O)O
InChIInChI=1S/C8H11NO4/c1-3-6-9(2)13-8(12)5-4-7(10)11/h3-5H,1,6H2,2H3,(H,10,11)/b5-4-
InChIKeyJMYBDKUINJFMJQ-PLNGDYQASA-N
MW185.18 g/mol
LogP0.20
Rot. Bonds5

About (Z)-4-[methyl(prop-2-enyl)amino]oxy-4-oxobut-2-enoic acid

(Z)-4-[methyl(prop-2-enyl)amino]oxy-4-oxobut-2-enoic acid (PubChem CID 134181665) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is (Z)-4-[methyl(prop-2-enyl)amino]oxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[methyl(prop-2-enyl)amino]oxy-4-oxobut-2-enoic acid
PubChem CID134181665
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name(Z)-4-[methyl(prop-2-enyl)amino]oxy-4-oxobut-2-enoic acid
SMILESC=CCN(C)OC(=O)/C=C\C(=O)O
InChIInChI=1S/C8H11NO4/c1-3-6-9(2)13-8(12)5-4-7(10)11/h3-5H,1,6H2,2H3,(H,10,11)/b5-4-
InChIKeyJMYBDKUINJFMJQ-PLNGDYQASA-N
XLogP0.20
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 (Z)-4-[methyl(prop-2-enyl)amino]oxy-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[methyl(prop-2-enyl)amino]oxy-4-oxobut-2-enoic acid (CID 134181665) is (Z)-4-[methyl(prop-2-enyl)amino]oxy-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[methyl(prop-2-enyl)amino]oxy-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[methyl(prop-2-enyl)amino]oxy-4-oxobut-2-enoic acid is C=CCN(C)OC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-[methyl(prop-2-enyl)amino]oxy-4-oxobut-2-enoic acid?
The InChIKey is JMYBDKUINJFMJQ-PLNGDYQASA-N. The full InChI is InChI=1S/C8H11NO4/c1-3-6-9(2)13-8(12)5-4-7(10)11/h3-5H,1,6H2,2H3,(H,10,11)/b5-4-.
What are the key properties of (Z)-4-[methyl(prop-2-enyl)amino]oxy-4-oxobut-2-enoic acid?
(Z)-4-[methyl(prop-2-enyl)amino]oxy-4-oxobut-2-enoic acid has a molecular weight of 185.18 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[methyl(prop-2-enyl)amino]oxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 134181665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).