oxan-4-ylmethyl 2-amino-2-methylbutanoate

C11H21NO3 — CID 79797909

IUPACoxan-4-ylmethyl 2-amino-2-methylbutanoate
SMILESCCC(C)(N)C(=O)OCC1CCOCC1
InChIInChI=1S/C11H21NO3/c1-3-11(2,12)10(13)15-8-9-4-6-14-7-5-9/h9H,3-8,12H2,1-2H3
InChIKeyQSXRNOWUIQLUSF-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.08
Rot. Bonds4

About oxan-4-ylmethyl 2-amino-2-methylbutanoate

oxan-4-ylmethyl 2-amino-2-methylbutanoate (PubChem CID 79797909) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is oxan-4-ylmethyl 2-amino-2-methylbutanoate.

Molecular Properties

Compound Nameoxan-4-ylmethyl 2-amino-2-methylbutanoate
PubChem CID79797909
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameoxan-4-ylmethyl 2-amino-2-methylbutanoate
SMILESCCC(C)(N)C(=O)OCC1CCOCC1
InChIInChI=1S/C11H21NO3/c1-3-11(2,12)10(13)15-8-9-4-6-14-7-5-9/h9H,3-8,12H2,1-2H3
InChIKeyQSXRNOWUIQLUSF-UHFFFAOYSA-N
XLogP1.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze oxan-4-ylmethyl 2-amino-2-methylbutanoate 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

cyclohexylmethyl 2-amino-2-methylbutanoate
CID 79799242
2-amino-2-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 79797743
2-amino-2-methyl-N-(oxan-4-yl)butanamide
CID 79797444
2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide
CID 79812019
oxan-4-ylmethyl carbamate
CID 134587773
oxan-4-ylmethyl 2-methyl-2-piperidin-3-ylpropanoate
CID 83197371
oxan-4-ylmethyl oxane-4-carboxylate
CID 67654592
cyclopropylmethyl 3-amino-2,2-dimethylpropanoate
CID 115428189
cyclopentylmethyl 2-amino-2-methylpropanoate
CID 66321792
oxan-4-ylmethyl 2-sulfanylpropanoate
CID 107018736
cyclopropylmethyl 2-bromo-2-methylpropanoate
CID 134896391
2-amino-N-(cyclopentylmethyl)-2-methylbutanamide
CID 79796793

Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethyl 2-amino-2-methylbutanoate?
The IUPAC name of oxan-4-ylmethyl 2-amino-2-methylbutanoate (CID 79797909) is oxan-4-ylmethyl 2-amino-2-methylbutanoate.
What is the SMILES notation for oxan-4-ylmethyl 2-amino-2-methylbutanoate?
The canonical SMILES for oxan-4-ylmethyl 2-amino-2-methylbutanoate is CCC(C)(N)C(=O)OCC1CCOCC1.
What is the InChIKey of oxan-4-ylmethyl 2-amino-2-methylbutanoate?
The InChIKey is QSXRNOWUIQLUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-11(2,12)10(13)15-8-9-4-6-14-7-5-9/h9H,3-8,12H2,1-2H3.
What are the key properties of oxan-4-ylmethyl 2-amino-2-methylbutanoate?
oxan-4-ylmethyl 2-amino-2-methylbutanoate has a molecular weight of 215.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethyl 2-amino-2-methylbutanoate is sourced from PubChem (CID 79797909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).