oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate

C11H21NO3 — CID 61279683

IUPACoxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate
SMILESCC(C)(C)[C@H](N)C(=O)OCC1CCCO1
InChIInChI=1S/C11H21NO3/c1-11(2,3)9(12)10(13)15-7-8-5-4-6-14-8/h8-9H,4-7,12H2,1-3H3/t8?,9-/m1/s1
InChIKeyQKIWLWSDNOZCDY-YGPZHTELSA-N
MW215.29 g/mol
LogP1.08
Rot. Bonds3

About oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate

oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate (PubChem CID 61279683) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate
PubChem CID61279683
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameoxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate
SMILESCC(C)(C)[C@H](N)C(=O)OCC1CCCO1
InChIInChI=1S/C11H21NO3/c1-11(2,3)9(12)10(13)15-7-8-5-4-6-14-8/h8-9H,4-7,12H2,1-3H3/t8?,9-/m1/s1
InChIKeyQKIWLWSDNOZCDY-YGPZHTELSA-N
XLogP1.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

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Related Compounds

oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
oxolan-2-ylmethyl 2-aminopropanoate;hydrochloride
CID 139215530
(2R)-2-amino-N-ethyl-3,3-dimethyl-N-(oxolan-2-ylmethyl)butanamide
CID 103929712
(2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride
CID 119708785
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
oxan-2-ylmethyl 2-amino-3-hydroxypropanoate
CID 61279858
oxan-2-ylmethyl 2-amino-2-cyclohexylacetate
CID 61277423
oxan-2-ylmethyl 2-methylbutanoate
CID 78836820
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225
[(2S)-oxolan-2-yl]methyl 2-ethylsulfonyloxypropanoate
CID 88611358
oxolan-2-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate
CID 54390356
1-O-(oxolan-2-ylmethyl) 3-O-propyl 2-propylpropanedioate
CID 174580903

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate?
The IUPAC name of oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate (CID 61279683) is oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate.
What is the SMILES notation for oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate?
The canonical SMILES for oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate is CC(C)(C)[C@H](N)C(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate?
The InChIKey is QKIWLWSDNOZCDY-YGPZHTELSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)9(12)10(13)15-7-8-5-4-6-14-8/h8-9H,4-7,12H2,1-3H3/t8?,9-/m1/s1.
What are the key properties of oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate?
oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate has a molecular weight of 215.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate is sourced from PubChem (CID 61279683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).