2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate

C11H23NO3 — CID 112588033

IUPAC2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate
SMILESCCNCCC(=O)OCCOC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-12-7-6-10(13)14-8-9-15-11(2,3)4/h12H,5-9H2,1-4H3
InChIKeyWGWYTVJFKDYLGG-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.34
Rot. Bonds7

About 2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate

2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate (PubChem CID 112588033) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate
PubChem CID112588033
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate
SMILESCCNCCC(=O)OCCOC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-12-7-6-10(13)14-8-9-15-11(2,3)4/h12H,5-9H2,1-4H3
InChIKeyWGWYTVJFKDYLGG-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate (CID 112588033) is 2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate is CCNCCC(=O)OCCOC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate?
The InChIKey is WGWYTVJFKDYLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-12-7-6-10(13)14-8-9-15-11(2,3)4/h12H,5-9H2,1-4H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate?
2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate has a molecular weight of 217.31 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate is sourced from PubChem (CID 112588033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).