(4,8-dimethyl-2-oxo-3-oxabicyclo[4.3.1]decan-8-yl) 2-amino-2-methylbutanoate

C16H27NO4 — CID 134267800

IUPAC(4,8-dimethyl-2-oxo-3-oxabicyclo[4.3.1]decan-8-yl) 2-amino-2-methylbutanoate
SMILESCCC(C)(N)C(=O)OC1(C)CC2CC(C)OC(=O)C(C2)C1
InChIInChI=1S/C16H27NO4/c1-5-16(4,17)14(19)21-15(3)8-11-6-10(2)20-13(18)12(7-11)9-15/h10-12H,5-9,17H2,1-4H3
InChIKeyQWLOPOMDKHSJBE-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.17
Rot. Bonds3

About (4,8-dimethyl-2-oxo-3-oxabicyclo[4.3.1]decan-8-yl) 2-amino-2-methylbutanoate

(4,8-dimethyl-2-oxo-3-oxabicyclo[4.3.1]decan-8-yl) 2-amino-2-methylbutanoate (PubChem CID 134267800) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is (4,8-dimethyl-2-oxo-3-oxabicyclo[4.3.1]decan-8-yl) 2-amino-2-methylbutanoate.

Molecular Properties

Compound Name(4,8-dimethyl-2-oxo-3-oxabicyclo[4.3.1]decan-8-yl) 2-amino-2-methylbutanoate
PubChem CID134267800
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name(4,8-dimethyl-2-oxo-3-oxabicyclo[4.3.1]decan-8-yl) 2-amino-2-methylbutanoate
SMILESCCC(C)(N)C(=O)OC1(C)CC2CC(C)OC(=O)C(C2)C1
InChIInChI=1S/C16H27NO4/c1-5-16(4,17)14(19)21-15(3)8-11-6-10(2)20-13(18)12(7-11)9-15/h10-12H,5-9,17H2,1-4H3
InChIKeyQWLOPOMDKHSJBE-UHFFFAOYSA-N
XLogP2.17
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4,8-dimethyl-2-oxo-3-oxabicyclo[4.3.1]decan-8-yl) 2-amino-2-methylbutanoate with MolForge

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Related Compounds

(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxymethyl 2,2-dimethylbutanoate
CID 90180567
[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
CID 67473202
1-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethyl 2,2-dimethylbutanoate
CID 90180568
[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]ethoxy]ethyl] 2,2-dimethylbutanoate
CID 159786177
(5-methyl-2-oxooxolan-3-yl)methyl prop-2-enoate
CID 163217032
[(1S)-5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-2-yl] 2,2-dimethylbutanoate
CID 129082604
(4-oxo-1-adamantyl) 2,2,3,3-tetrafluorobutanoate
CID 158030703
oxan-4-ylmethyl 2-amino-2-methylbutanoate
CID 79797909
(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-(2-bromobutanoyloxy)butanoate
CID 88899775
2-[2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxy]acetyl]oxyethyl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 134171363
(3-methyl-5-oxooxolan-3-yl) 2-iodo-2-methylbutanoate
CID 129121603
(3R,5R)-5-methyl-2-oxooxolane-3-carboxylic acid
CID 129375031

Frequently Asked Questions

What is the IUPAC name of (4,8-dimethyl-2-oxo-3-oxabicyclo[4.3.1]decan-8-yl) 2-amino-2-methylbutanoate?
The IUPAC name of (4,8-dimethyl-2-oxo-3-oxabicyclo[4.3.1]decan-8-yl) 2-amino-2-methylbutanoate (CID 134267800) is (4,8-dimethyl-2-oxo-3-oxabicyclo[4.3.1]decan-8-yl) 2-amino-2-methylbutanoate.
What is the SMILES notation for (4,8-dimethyl-2-oxo-3-oxabicyclo[4.3.1]decan-8-yl) 2-amino-2-methylbutanoate?
The canonical SMILES for (4,8-dimethyl-2-oxo-3-oxabicyclo[4.3.1]decan-8-yl) 2-amino-2-methylbutanoate is CCC(C)(N)C(=O)OC1(C)CC2CC(C)OC(=O)C(C2)C1.
What is the InChIKey of (4,8-dimethyl-2-oxo-3-oxabicyclo[4.3.1]decan-8-yl) 2-amino-2-methylbutanoate?
The InChIKey is QWLOPOMDKHSJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-5-16(4,17)14(19)21-15(3)8-11-6-10(2)20-13(18)12(7-11)9-15/h10-12H,5-9,17H2,1-4H3.
What are the key properties of (4,8-dimethyl-2-oxo-3-oxabicyclo[4.3.1]decan-8-yl) 2-amino-2-methylbutanoate?
(4,8-dimethyl-2-oxo-3-oxabicyclo[4.3.1]decan-8-yl) 2-amino-2-methylbutanoate has a molecular weight of 297.40 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,8-dimethyl-2-oxo-3-oxabicyclo[4.3.1]decan-8-yl) 2-amino-2-methylbutanoate is sourced from PubChem (CID 134267800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).