methyl 3-[[(E)-but-2-enyl]-(2-methoxyethyl)amino]propanoate

C11H21NO3 — CID 78959777

IUPACmethyl 3-[[(E)-but-2-enyl]-(2-methoxyethyl)amino]propanoate
SMILESC/C=C/CN(CCOC)CCC(=O)OC
InChIInChI=1S/C11H21NO3/c1-4-5-7-12(9-10-14-2)8-6-11(13)15-3/h4-5H,6-10H2,1-3H3/b5-4+
InChIKeyLPSGTDVPUMIKNN-SNAWJCMRSA-N
MW215.29 g/mol
LogP1.07
Rot. Bonds8

About methyl 3-[[(E)-but-2-enyl]-(2-methoxyethyl)amino]propanoate

methyl 3-[[(E)-but-2-enyl]-(2-methoxyethyl)amino]propanoate (PubChem CID 78959777) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 3-[[(E)-but-2-enyl]-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(E)-but-2-enyl]-(2-methoxyethyl)amino]propanoate
PubChem CID78959777
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 3-[[(E)-but-2-enyl]-(2-methoxyethyl)amino]propanoate
SMILESC/C=C/CN(CCOC)CCC(=O)OC
InChIInChI=1S/C11H21NO3/c1-4-5-7-12(9-10-14-2)8-6-11(13)15-3/h4-5H,6-10H2,1-3H3/b5-4+
InChIKeyLPSGTDVPUMIKNN-SNAWJCMRSA-N
XLogP1.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(E)-but-2-enyl]-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[[(E)-but-2-enyl]-(2-methoxyethyl)amino]propanoate (CID 78959777) is methyl 3-[[(E)-but-2-enyl]-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[[(E)-but-2-enyl]-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[[(E)-but-2-enyl]-(2-methoxyethyl)amino]propanoate is C/C=C/CN(CCOC)CCC(=O)OC.
What is the InChIKey of methyl 3-[[(E)-but-2-enyl]-(2-methoxyethyl)amino]propanoate?
The InChIKey is LPSGTDVPUMIKNN-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-5-7-12(9-10-14-2)8-6-11(13)15-3/h4-5H,6-10H2,1-3H3/b5-4+.
What are the key properties of methyl 3-[[(E)-but-2-enyl]-(2-methoxyethyl)amino]propanoate?
methyl 3-[[(E)-but-2-enyl]-(2-methoxyethyl)amino]propanoate has a molecular weight of 215.29 g/mol, XLogP of 1.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(E)-but-2-enyl]-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 78959777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).