tert-butyl 3-[bis(prop-2-enyl)amino]propanoate

C13H23NO2 — CID 102165683

IUPACtert-butyl 3-[bis(prop-2-enyl)amino]propanoate
SMILESC=CCN(CC=C)CCC(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO2/c1-6-9-14(10-7-2)11-8-12(15)16-13(3,4)5/h6-7H,1-2,8-11H2,3-5H3
InChIKeyGXAMPERFCYLZQA-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.39
Rot. Bonds7

About tert-butyl 3-[bis(prop-2-enyl)amino]propanoate

tert-butyl 3-[bis(prop-2-enyl)amino]propanoate (PubChem CID 102165683) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl 3-[bis(prop-2-enyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[bis(prop-2-enyl)amino]propanoate
PubChem CID102165683
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl 3-[bis(prop-2-enyl)amino]propanoate
SMILESC=CCN(CC=C)CCC(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO2/c1-6-9-14(10-7-2)11-8-12(15)16-13(3,4)5/h6-7H,1-2,8-11H2,3-5H3
InChIKeyGXAMPERFCYLZQA-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.39
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 tert-butyl 3-[bis(prop-2-enyl)amino]propanoate?
The IUPAC name of tert-butyl 3-[bis(prop-2-enyl)amino]propanoate (CID 102165683) is tert-butyl 3-[bis(prop-2-enyl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[bis(prop-2-enyl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[bis(prop-2-enyl)amino]propanoate is C=CCN(CC=C)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[bis(prop-2-enyl)amino]propanoate?
The InChIKey is GXAMPERFCYLZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-6-9-14(10-7-2)11-8-12(15)16-13(3,4)5/h6-7H,1-2,8-11H2,3-5H3.
What are the key properties of tert-butyl 3-[bis(prop-2-enyl)amino]propanoate?
tert-butyl 3-[bis(prop-2-enyl)amino]propanoate has a molecular weight of 225.33 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[bis(prop-2-enyl)amino]propanoate is sourced from PubChem (CID 102165683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).