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

C9H17NO4 — CID 103261721

IUPACmethyl (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoate
SMILESCOCCONC/C=C(/C)C(=O)OC
InChIInChI=1S/C9H17NO4/c1-8(9(11)13-3)4-5-10-14-7-6-12-2/h4,10H,5-7H2,1-3H3/b8-4-
InChIKeyMJDDRCVNVVISAY-YWEYNIOJSA-N
MW203.24 g/mol
LogP0.27
Rot. Bonds7

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

methyl (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoate (PubChem CID 103261721) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoate
PubChem CID103261721
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namemethyl (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoate
SMILESCOCCONC/C=C(/C)C(=O)OC
InChIInChI=1S/C9H17NO4/c1-8(9(11)13-3)4-5-10-14-7-6-12-2/h4,10H,5-7H2,1-3H3/b8-4-
InChIKeyMJDDRCVNVVISAY-YWEYNIOJSA-N
XLogP0.27
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methoxyethoxyamino)-2-methylbut-2-enoate?
The IUPAC name of methyl (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoate (CID 103261721) is methyl (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoate.
What is the SMILES notation for methyl (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoate?
The canonical SMILES for methyl (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoate is COCCONC/C=C(/C)C(=O)OC.
What is the InChIKey of methyl (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoate?
The InChIKey is MJDDRCVNVVISAY-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H17NO4/c1-8(9(11)13-3)4-5-10-14-7-6-12-2/h4,10H,5-7H2,1-3H3/b8-4-.
What are the key properties of methyl (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoate?
methyl (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoate has a molecular weight of 203.24 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-(2-methoxyethoxyamino)-2-methylbut-2-enoate is sourced from PubChem (CID 103261721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).