methyl (2Z)-2-ethoxyiminobutanoate

C7H13NO3 — CID 20717769

IUPACmethyl (2Z)-2-ethoxyiminobutanoate
SMILESCCO/N=C(/CC)C(=O)OC
InChIInChI=1S/C7H13NO3/c1-4-6(7(9)10-3)8-11-5-2/h4-5H2,1-3H3/b8-6-
InChIKeyANCMPVKKOXXQGE-VURMDHGXSA-N
MW159.19 g/mol
LogP0.96
Rot. Bonds4

About methyl (2Z)-2-ethoxyiminobutanoate

methyl (2Z)-2-ethoxyiminobutanoate (PubChem CID 20717769) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is methyl (2Z)-2-ethoxyiminobutanoate.

Molecular Properties

Compound Namemethyl (2Z)-2-ethoxyiminobutanoate
PubChem CID20717769
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Namemethyl (2Z)-2-ethoxyiminobutanoate
SMILESCCO/N=C(/CC)C(=O)OC
InChIInChI=1S/C7H13NO3/c1-4-6(7(9)10-3)8-11-5-2/h4-5H2,1-3H3/b8-6-
InChIKeyANCMPVKKOXXQGE-VURMDHGXSA-N
XLogP0.96
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2Z)-2-hydroxyiminobutanoate
CID 19738587
methyl 2-methyliminobutanoate
CID 20717772
methyl N-(N-ethoxy-C-ethylcarbonimidoyl)carbamate
CID 135514855
methyl 4-chloro-4-ethoxyimino-2-hydroxybutanoate
CID 163201012
dimethyl (2E)-2-methoxyiminobutanedioate
CID 5365394
dimethyl (2E)-2-methoxyiminopentanedioate
CID 5365354
methyl 4-methyl-2-methyliminopentanoate
CID 123195850
N-ethoxybutan-2-imine
CID 54202913
(2Z)-2-ethoxyiminopropanoic acid
CID 55298228
dimethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxyiminopropanedioate
CID 23239497
methyl (2E)-2-ethoxyimino-2-(2-methanidylphenyl)acetate;uranium
CID 59896432
methyl 2-ethoxyimino-2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate
CID 54036724

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-ethoxyiminobutanoate?
The IUPAC name of methyl (2Z)-2-ethoxyiminobutanoate (CID 20717769) is methyl (2Z)-2-ethoxyiminobutanoate.
What is the SMILES notation for methyl (2Z)-2-ethoxyiminobutanoate?
The canonical SMILES for methyl (2Z)-2-ethoxyiminobutanoate is CCO/N=C(/CC)C(=O)OC.
What is the InChIKey of methyl (2Z)-2-ethoxyiminobutanoate?
The InChIKey is ANCMPVKKOXXQGE-VURMDHGXSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-6(7(9)10-3)8-11-5-2/h4-5H2,1-3H3/b8-6-.
What are the key properties of methyl (2Z)-2-ethoxyiminobutanoate?
methyl (2Z)-2-ethoxyiminobutanoate has a molecular weight of 159.19 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-ethoxyiminobutanoate is sourced from PubChem (CID 20717769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).