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

C9H17NO2 — CID 19426639

IUPACethyl 3-[methyl(prop-2-enyl)amino]propanoate
SMILESC=CCN(C)CCC(=O)OCC
InChIInChI=1S/C9H17NO2/c1-4-7-10(3)8-6-9(11)12-5-2/h4H,1,5-8H2,2-3H3
InChIKeyCUWCMJUFPTWVHB-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.06
Rot. Bonds6

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

ethyl 3-[methyl(prop-2-enyl)amino]propanoate (PubChem CID 19426639) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 3-[methyl(prop-2-enyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl(prop-2-enyl)amino]propanoate
PubChem CID19426639
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 3-[methyl(prop-2-enyl)amino]propanoate
SMILESC=CCN(C)CCC(=O)OCC
InChIInChI=1S/C9H17NO2/c1-4-7-10(3)8-6-9(11)12-5-2/h4H,1,5-8H2,2-3H3
InChIKeyCUWCMJUFPTWVHB-UHFFFAOYSA-N
XLogP1.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethyl 3-[methyl(prop-2-enyl)amino]propanoate?
The IUPAC name of ethyl 3-[methyl(prop-2-enyl)amino]propanoate (CID 19426639) is ethyl 3-[methyl(prop-2-enyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl(prop-2-enyl)amino]propanoate?
The canonical SMILES for ethyl 3-[methyl(prop-2-enyl)amino]propanoate is C=CCN(C)CCC(=O)OCC.
What is the InChIKey of ethyl 3-[methyl(prop-2-enyl)amino]propanoate?
The InChIKey is CUWCMJUFPTWVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-7-10(3)8-6-9(11)12-5-2/h4H,1,5-8H2,2-3H3.
What are the key properties of ethyl 3-[methyl(prop-2-enyl)amino]propanoate?
ethyl 3-[methyl(prop-2-enyl)amino]propanoate has a molecular weight of 171.24 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl(prop-2-enyl)amino]propanoate is sourced from PubChem (CID 19426639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).