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

C10H19NO3 — CID 78960106

IUPACmethyl 3-[2-methoxyethyl(prop-2-enyl)amino]propanoate
SMILESC=CCN(CCOC)CCC(=O)OC
InChIInChI=1S/C10H19NO3/c1-4-6-11(8-9-13-2)7-5-10(12)14-3/h4H,1,5-9H2,2-3H3
InChIKeyOGGAYJQOJFCRLM-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.68
Rot. Bonds8

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

methyl 3-[2-methoxyethyl(prop-2-enyl)amino]propanoate (PubChem CID 78960106) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl(prop-2-enyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl(prop-2-enyl)amino]propanoate
PubChem CID78960106
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 3-[2-methoxyethyl(prop-2-enyl)amino]propanoate
SMILESC=CCN(CCOC)CCC(=O)OC
InChIInChI=1S/C10H19NO3/c1-4-6-11(8-9-13-2)7-5-10(12)14-3/h4H,1,5-9H2,2-3H3
InChIKeyOGGAYJQOJFCRLM-UHFFFAOYSA-N
XLogP0.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.68
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-[2-methoxyethyl(prop-2-enyl)amino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl(prop-2-enyl)amino]propanoate (CID 78960106) is methyl 3-[2-methoxyethyl(prop-2-enyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl(prop-2-enyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl(prop-2-enyl)amino]propanoate is C=CCN(CCOC)CCC(=O)OC.
What is the InChIKey of methyl 3-[2-methoxyethyl(prop-2-enyl)amino]propanoate?
The InChIKey is OGGAYJQOJFCRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-6-11(8-9-13-2)7-5-10(12)14-3/h4H,1,5-9H2,2-3H3.
What are the key properties of methyl 3-[2-methoxyethyl(prop-2-enyl)amino]propanoate?
methyl 3-[2-methoxyethyl(prop-2-enyl)amino]propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl(prop-2-enyl)amino]propanoate is sourced from PubChem (CID 78960106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).