methyl 2-ethyl-4-(methylamino)but-2-enoate

C8H15NO2 — CID 103230258

IUPACmethyl 2-ethyl-4-(methylamino)but-2-enoate
SMILESCCC(=CCNC)C(=O)OC
InChIInChI=1S/C8H15NO2/c1-4-7(5-6-9-2)8(10)11-3/h5,9H,4,6H2,1-3H3
InChIKeyXYGSXXUTGBWVKL-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.72
Rot. Bonds4

About methyl 2-ethyl-4-(methylamino)but-2-enoate

methyl 2-ethyl-4-(methylamino)but-2-enoate (PubChem CID 103230258) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 2-ethyl-4-(methylamino)but-2-enoate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-(methylamino)but-2-enoate
PubChem CID103230258
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 2-ethyl-4-(methylamino)but-2-enoate
SMILESCCC(=CCNC)C(=O)OC
InChIInChI=1S/C8H15NO2/c1-4-7(5-6-9-2)8(10)11-3/h5,9H,4,6H2,1-3H3
InChIKeyXYGSXXUTGBWVKL-UHFFFAOYSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-(methylamino)but-2-enoate?
The IUPAC name of methyl 2-ethyl-4-(methylamino)but-2-enoate (CID 103230258) is methyl 2-ethyl-4-(methylamino)but-2-enoate.
What is the SMILES notation for methyl 2-ethyl-4-(methylamino)but-2-enoate?
The canonical SMILES for methyl 2-ethyl-4-(methylamino)but-2-enoate is CCC(=CCNC)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-(methylamino)but-2-enoate?
The InChIKey is XYGSXXUTGBWVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-7(5-6-9-2)8(10)11-3/h5,9H,4,6H2,1-3H3.
What are the key properties of methyl 2-ethyl-4-(methylamino)but-2-enoate?
methyl 2-ethyl-4-(methylamino)but-2-enoate has a molecular weight of 157.21 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-(methylamino)but-2-enoate is sourced from PubChem (CID 103230258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).