ethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate

C12H23NO4 — CID 102607607

IUPACethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate
SMILESCCCNC(CCOC1COC1)C(=O)OCC
InChIInChI=1S/C12H23NO4/c1-3-6-13-11(12(14)16-4-2)5-7-17-10-8-15-9-10/h10-11,13H,3-9H2,1-2H3
InChIKeyKPVIQOXAMOYPAE-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.72
Rot. Bonds9

About ethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate

ethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate (PubChem CID 102607607) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate
PubChem CID102607607
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nameethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate
SMILESCCCNC(CCOC1COC1)C(=O)OCC
InChIInChI=1S/C12H23NO4/c1-3-6-13-11(12(14)16-4-2)5-7-17-10-8-15-9-10/h10-11,13H,3-9H2,1-2H3
InChIKeyKPVIQOXAMOYPAE-UHFFFAOYSA-N
XLogP0.72
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate
CID 102607501
ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate
CID 55214308
4-cyclobutyloxy-2-(propylamino)butanamide
CID 63035850
4-cyclohexyloxy-2-(propylamino)butanamide
CID 63039498
4-cycloheptyloxy-2-(propylamino)butanamide
CID 63039984
ethyl 2-(cyclopropylamino)-4-(oxan-4-yloxy)butanoate
CID 55144526
ethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate
CID 114157841
ethyl 2-(propylamino)butanoate
CID 60795885
ethyl 4-cyclohexyloxy-2-(methylamino)butanoate
CID 55142810
ethyl 4-(3,3-dimethylbutoxy)-2-(propylamino)butanoate
CID 66224989
ethyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(propylamino)butanoate
CID 104960241

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate?
The IUPAC name of ethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate (CID 102607607) is ethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate.
What is the SMILES notation for ethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate?
The canonical SMILES for ethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate is CCCNC(CCOC1COC1)C(=O)OCC.
What is the InChIKey of ethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate?
The InChIKey is KPVIQOXAMOYPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-3-6-13-11(12(14)16-4-2)5-7-17-10-8-15-9-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of ethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate?
ethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate has a molecular weight of 245.32 g/mol, XLogP of 0.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate is sourced from PubChem (CID 102607607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).