methyl 3-(ethylamino)-3-(oxan-4-yl)propanoate

C11H21NO3 — CID 65235068

IUPACmethyl 3-(ethylamino)-3-(oxan-4-yl)propanoate
SMILESCCNC(CC(=O)OC)C1CCOCC1
InChIInChI=1S/C11H21NO3/c1-3-12-10(8-11(13)14-2)9-4-6-15-7-5-9/h9-10,12H,3-8H2,1-2H3
InChIKeyGTBPHTBSJPCAMO-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.95
Rot. Bonds5

About methyl 3-(ethylamino)-3-(oxan-4-yl)propanoate

methyl 3-(ethylamino)-3-(oxan-4-yl)propanoate (PubChem CID 65235068) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 3-(ethylamino)-3-(oxan-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(ethylamino)-3-(oxan-4-yl)propanoate
PubChem CID65235068
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 3-(ethylamino)-3-(oxan-4-yl)propanoate
SMILESCCNC(CC(=O)OC)C1CCOCC1
InChIInChI=1S/C11H21NO3/c1-3-12-10(8-11(13)14-2)9-4-6-15-7-5-9/h9-10,12H,3-8H2,1-2H3
InChIKeyGTBPHTBSJPCAMO-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(ethylamino)-3-(oxan-4-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethylamino)-3-(oxan-4-yl)propanoate?
The IUPAC name of methyl 3-(ethylamino)-3-(oxan-4-yl)propanoate (CID 65235068) is methyl 3-(ethylamino)-3-(oxan-4-yl)propanoate.
What is the SMILES notation for methyl 3-(ethylamino)-3-(oxan-4-yl)propanoate?
The canonical SMILES for methyl 3-(ethylamino)-3-(oxan-4-yl)propanoate is CCNC(CC(=O)OC)C1CCOCC1.
What is the InChIKey of methyl 3-(ethylamino)-3-(oxan-4-yl)propanoate?
The InChIKey is GTBPHTBSJPCAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-12-10(8-11(13)14-2)9-4-6-15-7-5-9/h9-10,12H,3-8H2,1-2H3.
What are the key properties of methyl 3-(ethylamino)-3-(oxan-4-yl)propanoate?
methyl 3-(ethylamino)-3-(oxan-4-yl)propanoate has a molecular weight of 215.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethylamino)-3-(oxan-4-yl)propanoate is sourced from PubChem (CID 65235068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).