methyl (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoate

C11H21NO3 — CID 103230107

IUPACmethyl (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoate
SMILESCCOCCNC/C=C(/CC)C(=O)OC
InChIInChI=1S/C11H21NO3/c1-4-10(11(13)14-3)6-7-12-8-9-15-5-2/h6,12H,4-5,7-9H2,1-3H3/b10-6-
InChIKeyZUTHSARUFJAFKI-POHAHGRESA-N
MW215.29 g/mol
LogP1.12
Rot. Bonds8

About methyl (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoate

methyl (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoate (PubChem CID 103230107) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoate
PubChem CID103230107
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoate
SMILESCCOCCNC/C=C(/CC)C(=O)OC
InChIInChI=1S/C11H21NO3/c1-4-10(11(13)14-3)6-7-12-8-9-15-5-2/h6,12H,4-5,7-9H2,1-3H3/b10-6-
InChIKeyZUTHSARUFJAFKI-POHAHGRESA-N
XLogP1.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.12
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoate?
The IUPAC name of methyl (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoate (CID 103230107) is methyl (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoate.
What is the SMILES notation for methyl (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoate?
The canonical SMILES for methyl (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoate is CCOCCNC/C=C(/CC)C(=O)OC.
What is the InChIKey of methyl (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoate?
The InChIKey is ZUTHSARUFJAFKI-POHAHGRESA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-10(11(13)14-3)6-7-12-8-9-15-5-2/h6,12H,4-5,7-9H2,1-3H3/b10-6-.
What are the key properties of methyl (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoate?
methyl (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoate has a molecular weight of 215.29 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoate is sourced from PubChem (CID 103230107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).