ethyl 3-amino-3-(3-ethyloxetan-3-yl)propanoate

C10H19NO3 — CID 130226299

IUPACethyl 3-amino-3-(3-ethyloxetan-3-yl)propanoate
SMILESCCOC(=O)CC(N)C1(CC)COC1
InChIInChI=1S/C10H19NO3/c1-3-10(6-13-7-10)8(11)5-9(12)14-4-2/h8H,3-7,11H2,1-2H3
InChIKeyAISBLKNEXWAHOS-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.69
Rot. Bonds5

About ethyl 3-amino-3-(3-ethyloxetan-3-yl)propanoate

ethyl 3-amino-3-(3-ethyloxetan-3-yl)propanoate (PubChem CID 130226299) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 3-amino-3-(3-ethyloxetan-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-(3-ethyloxetan-3-yl)propanoate
PubChem CID130226299
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 3-amino-3-(3-ethyloxetan-3-yl)propanoate
SMILESCCOC(=O)CC(N)C1(CC)COC1
InChIInChI=1S/C10H19NO3/c1-3-10(6-13-7-10)8(11)5-9(12)14-4-2/h8H,3-7,11H2,1-2H3
InChIKeyAISBLKNEXWAHOS-UHFFFAOYSA-N
XLogP0.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-amino-3-(3-ethyloxetan-3-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

Related Compounds

tert-butyl 3-amino-3-(3-hydroxyoxetan-3-yl)propanoate
CID 163325198
ethyl 2-(3-cyanooxetan-3-yl)acetate
CID 46204179
CID 119097783
CID 119097783
ethyl (3R,4S)-3-chloro-4-hydroxypentanoate
CID 15936348
ethyl 3-(3-hydroxyoxan-3-yl)propanoate
CID 66322542
ethyl 1-(3-ethoxy-1-hydroxy-3-oxopropyl)cyclobutane-1-carboxylate
CID 102449614
ethyl 2-(4-aminooxan-4-yl)acetate
CID 79002083
ethyl 2-[3-(3-hydroxyazetidin-1-yl)oxetan-3-yl]acetate
CID 71309772
tetraethyl pentane-1,2,4,5-tetracarboxylate
CID 12576810
ethyl (3R)-3-methylpentanoate
CID 7567160
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
ethyl (3R)-3-ethoxy-3-methoxypropanoate
CID 129409053

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-(3-ethyloxetan-3-yl)propanoate?
The IUPAC name of ethyl 3-amino-3-(3-ethyloxetan-3-yl)propanoate (CID 130226299) is ethyl 3-amino-3-(3-ethyloxetan-3-yl)propanoate.
What is the SMILES notation for ethyl 3-amino-3-(3-ethyloxetan-3-yl)propanoate?
The canonical SMILES for ethyl 3-amino-3-(3-ethyloxetan-3-yl)propanoate is CCOC(=O)CC(N)C1(CC)COC1.
What is the InChIKey of ethyl 3-amino-3-(3-ethyloxetan-3-yl)propanoate?
The InChIKey is AISBLKNEXWAHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-10(6-13-7-10)8(11)5-9(12)14-4-2/h8H,3-7,11H2,1-2H3.
What are the key properties of ethyl 3-amino-3-(3-ethyloxetan-3-yl)propanoate?
ethyl 3-amino-3-(3-ethyloxetan-3-yl)propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-(3-ethyloxetan-3-yl)propanoate is sourced from PubChem (CID 130226299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).