methyl 4-(hydroxyamino)-2-methylbut-2-enoate

C6H11NO3 — CID 103282703

IUPACmethyl 4-(hydroxyamino)-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=CCNO
InChIInChI=1S/C6H11NO3/c1-5(3-4-7-9)6(8)10-2/h3,7,9H,4H2,1-2H3
InChIKeyRBGLAERLFWPIOT-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.08
Rot. Bonds3

About methyl 4-(hydroxyamino)-2-methylbut-2-enoate

methyl 4-(hydroxyamino)-2-methylbut-2-enoate (PubChem CID 103282703) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl 4-(hydroxyamino)-2-methylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-(hydroxyamino)-2-methylbut-2-enoate
PubChem CID103282703
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl 4-(hydroxyamino)-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=CCNO
InChIInChI=1S/C6H11NO3/c1-5(3-4-7-9)6(8)10-2/h3,7,9H,4H2,1-2H3
InChIKeyRBGLAERLFWPIOT-UHFFFAOYSA-N
XLogP0.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 methyl 4-(hydroxyamino)-2-methylbut-2-enoate?
The IUPAC name of methyl 4-(hydroxyamino)-2-methylbut-2-enoate (CID 103282703) is methyl 4-(hydroxyamino)-2-methylbut-2-enoate.
What is the SMILES notation for methyl 4-(hydroxyamino)-2-methylbut-2-enoate?
The canonical SMILES for methyl 4-(hydroxyamino)-2-methylbut-2-enoate is COC(=O)C(C)=CCNO.
What is the InChIKey of methyl 4-(hydroxyamino)-2-methylbut-2-enoate?
The InChIKey is RBGLAERLFWPIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(3-4-7-9)6(8)10-2/h3,7,9H,4H2,1-2H3.
What are the key properties of methyl 4-(hydroxyamino)-2-methylbut-2-enoate?
methyl 4-(hydroxyamino)-2-methylbut-2-enoate has a molecular weight of 145.16 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(hydroxyamino)-2-methylbut-2-enoate is sourced from PubChem (CID 103282703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).