oxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate

C8H15NO4 — CID 102606699

IUPACoxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate
SMILESCC(O)(CN)CC(=O)OC1COC1
InChIInChI=1S/C8H15NO4/c1-8(11,5-9)2-7(10)13-6-3-12-4-6/h6,11H,2-5,9H2,1H3
InChIKeyLOKJKAPAZOFCSG-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.97
Rot. Bonds4

About oxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate

oxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate (PubChem CID 102606699) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is oxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Nameoxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate
PubChem CID102606699
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Nameoxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate
SMILESCC(O)(CN)CC(=O)OC1COC1
InChIInChI=1S/C8H15NO4/c1-8(11,5-9)2-7(10)13-6-3-12-4-6/h6,11H,2-5,9H2,1H3
InChIKeyLOKJKAPAZOFCSG-UHFFFAOYSA-N
XLogP-0.97
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze oxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate 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 oxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate?
The IUPAC name of oxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate (CID 102606699) is oxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate.
What is the SMILES notation for oxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate?
The canonical SMILES for oxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate is CC(O)(CN)CC(=O)OC1COC1.
What is the InChIKey of oxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate?
The InChIKey is LOKJKAPAZOFCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-8(11,5-9)2-7(10)13-6-3-12-4-6/h6,11H,2-5,9H2,1H3.
What are the key properties of oxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate?
oxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate has a molecular weight of 189.21 g/mol, XLogP of -0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate is sourced from PubChem (CID 102606699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).