oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate

C8H15NO4 — CID 66173034

IUPACoxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate
SMILESCC(O)(CN)C(=O)OC1CCOC1
InChIInChI=1S/C8H15NO4/c1-8(11,5-9)7(10)13-6-2-3-12-4-6/h6,11H,2-5,9H2,1H3
InChIKeyKLGMBWYLSLLNHD-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.97
Rot. Bonds3

About oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate

oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate (PubChem CID 66173034) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Nameoxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate
PubChem CID66173034
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Nameoxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate
SMILESCC(O)(CN)C(=O)OC1CCOC1
InChIInChI=1S/C8H15NO4/c1-8(11,5-9)7(10)13-6-2-3-12-4-6/h6,11H,2-5,9H2,1H3
InChIKeyKLGMBWYLSLLNHD-UHFFFAOYSA-N
XLogP-0.97
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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 oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate 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 oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate?
The IUPAC name of oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate (CID 66173034) is oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate?
The canonical SMILES for oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate is CC(O)(CN)C(=O)OC1CCOC1.
What is the InChIKey of oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate?
The InChIKey is KLGMBWYLSLLNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-8(11,5-9)7(10)13-6-2-3-12-4-6/h6,11H,2-5,9H2,1H3.
What are the key properties of oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate?
oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate has a molecular weight of 189.21 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 66173034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).