methyl (E)-3-(ethylamino)but-2-enoate

C7H13NO2 — CID 22895227

IUPACmethyl (E)-3-(ethylamino)but-2-enoate
SMILESCCN/C(C)=C/C(=O)OC
InChIInChI=1S/C7H13NO2/c1-4-8-6(2)5-7(9)10-3/h5,8H,4H2,1-3H3/b6-5+
InChIKeyCCLSSOPVHNHJHQ-AATRIKPKSA-N
MW143.19 g/mol
LogP0.67
Rot. Bonds3

About methyl (E)-3-(ethylamino)but-2-enoate

methyl (E)-3-(ethylamino)but-2-enoate (PubChem CID 22895227) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl (E)-3-(ethylamino)but-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(ethylamino)but-2-enoate
PubChem CID22895227
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl (E)-3-(ethylamino)but-2-enoate
SMILESCCN/C(C)=C/C(=O)OC
InChIInChI=1S/C7H13NO2/c1-4-8-6(2)5-7(9)10-3/h5,8H,4H2,1-3H3/b6-5+
InChIKeyCCLSSOPVHNHJHQ-AATRIKPKSA-N
XLogP0.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.67
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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Related Compounds

methyl (Z)-3-(prop-2-enylamino)but-2-enoate
CID 14025142
methyl (E)-3-[[(2S)-2-hydroxypropyl]amino]but-2-enoate
CID 13220319
dimethyl (E)-2-(ethylamino)but-2-enedioate
CID 20644419
methyl (Z)-3-(propanoylamino)but-2-enoate
CID 121227364
methyl 3-(propanoylamino)but-2-enoate
CID 130719515
methyl (Z)-3-methylpent-2-enoate
CID 12524083
methyl 3-hydroxybut-2-enoate
CID 54691070
methyl (Z)-3-[(2-ethoxycarbonyloxy-2-oxoethyl)amino]but-2-enoate
CID 10586439
methyl (Z)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]but-2-enoate
CID 46928823
methyl (Z)-3-(cyclohexylmethylamino)but-2-enoate
CID 101371297
tris(methyl 3-hydroxybut-2-enoate);propan-1-ol;titanium
CID 176729444
methyl 3-hydroxybut-2-enoate;tris(propan-1-ol);titanium
CID 176729452

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(ethylamino)but-2-enoate?
The IUPAC name of methyl (E)-3-(ethylamino)but-2-enoate (CID 22895227) is methyl (E)-3-(ethylamino)but-2-enoate.
What is the SMILES notation for methyl (E)-3-(ethylamino)but-2-enoate?
The canonical SMILES for methyl (E)-3-(ethylamino)but-2-enoate is CCN/C(C)=C/C(=O)OC.
What is the InChIKey of methyl (E)-3-(ethylamino)but-2-enoate?
The InChIKey is CCLSSOPVHNHJHQ-AATRIKPKSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-8-6(2)5-7(9)10-3/h5,8H,4H2,1-3H3/b6-5+.
What are the key properties of methyl (E)-3-(ethylamino)but-2-enoate?
methyl (E)-3-(ethylamino)but-2-enoate has a molecular weight of 143.19 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(ethylamino)but-2-enoate is sourced from PubChem (CID 22895227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).