2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate

C12H25NO3 — CID 106448215

IUPAC2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate
SMILESCC(C)COCCOC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H25NO3/c1-9(2)8-15-6-7-16-11(14)10(13)12(3,4)5/h9-10H,6-8,13H2,1-5H3/t10-/m0/s1
InChIKeyKOWJFZHHNZGDPA-JTQLQIEISA-N
MW231.34 g/mol
LogP1.58
Rot. Bonds6

About 2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate

2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate (PubChem CID 106448215) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate
PubChem CID106448215
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate
SMILESCC(C)COCCOC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H25NO3/c1-9(2)8-15-6-7-16-11(14)10(13)12(3,4)5/h9-10H,6-8,13H2,1-5H3/t10-/m0/s1
InChIKeyKOWJFZHHNZGDPA-JTQLQIEISA-N
XLogP1.58
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-propoxyethyl 2-amino-3,3-dimethylbutanoate
CID 63687085
2-(3-methoxypropoxy)ethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 103178228
2-(2-methylpropoxy)ethyl acetate
CID 520944
2-(2-methylpropoxy)ethyl 3-amino-3-methylbutanoate
CID 106448152
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428226
3,3-dimethylbutyl (2S)-2-amino-3,3-dimethylbutanoate
CID 66226213
2-(2-methylpropoxy)ethyl (2S)-3-amino-2-hydroxypropanoate
CID 107837701
2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate
CID 107837699
3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
CID 106448661
2-(2-methylpropoxy)ethyl 3-aminopentanoate
CID 106448091
2-(2-methylpropoxy)ethyl 4-(2-aminoethyl)-5,5-dimethylhexanoate
CID 106448205
2-(2-methylpropoxy)ethyl (2S)-2-amino-2-phenylacetate
CID 106448098

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate?
The IUPAC name of 2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate (CID 106448215) is 2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate.
What is the SMILES notation for 2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate?
The canonical SMILES for 2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate is CC(C)COCCOC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of 2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate?
The InChIKey is KOWJFZHHNZGDPA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H25NO3/c1-9(2)8-15-6-7-16-11(14)10(13)12(3,4)5/h9-10H,6-8,13H2,1-5H3/t10-/m0/s1.
What are the key properties of 2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate?
2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate has a molecular weight of 231.34 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate is sourced from PubChem (CID 106448215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).