methyl (Z)-4-(methoxyamino)-2-methylbut-2-enoate

C7H13NO3 — CID 103729309

IUPACmethyl (Z)-4-(methoxyamino)-2-methylbut-2-enoate
SMILESCONC/C=C(/C)C(=O)OC
InChIInChI=1S/C7H13NO3/c1-6(7(9)10-2)4-5-8-11-3/h4,8H,5H2,1-3H3/b6-4-
InChIKeyYHSWTZHIIMLCLY-XQRVVYSFSA-N
MW159.18 g/mol
LogP0.26
Rot. Bonds4

About methyl (Z)-4-(methoxyamino)-2-methylbut-2-enoate

methyl (Z)-4-(methoxyamino)-2-methylbut-2-enoate (PubChem CID 103729309) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl (Z)-4-(methoxyamino)-2-methylbut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-(methoxyamino)-2-methylbut-2-enoate
PubChem CID103729309
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl (Z)-4-(methoxyamino)-2-methylbut-2-enoate
SMILESCONC/C=C(/C)C(=O)OC
InChIInChI=1S/C7H13NO3/c1-6(7(9)10-2)4-5-8-11-3/h4,8H,5H2,1-3H3/b6-4-
InChIKeyYHSWTZHIIMLCLY-XQRVVYSFSA-N
XLogP0.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-(methoxyamino)-2-methylbut-2-enoate?
The IUPAC name of methyl (Z)-4-(methoxyamino)-2-methylbut-2-enoate (CID 103729309) is methyl (Z)-4-(methoxyamino)-2-methylbut-2-enoate.
What is the SMILES notation for methyl (Z)-4-(methoxyamino)-2-methylbut-2-enoate?
The canonical SMILES for methyl (Z)-4-(methoxyamino)-2-methylbut-2-enoate is CONC/C=C(/C)C(=O)OC.
What is the InChIKey of methyl (Z)-4-(methoxyamino)-2-methylbut-2-enoate?
The InChIKey is YHSWTZHIIMLCLY-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H13NO3/c1-6(7(9)10-2)4-5-8-11-3/h4,8H,5H2,1-3H3/b6-4-.
What are the key properties of methyl (Z)-4-(methoxyamino)-2-methylbut-2-enoate?
methyl (Z)-4-(methoxyamino)-2-methylbut-2-enoate has a molecular weight of 159.18 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-(methoxyamino)-2-methylbut-2-enoate is sourced from PubChem (CID 103729309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).