methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate

C11H23NO3 — CID 66226341

IUPACmethyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate
SMILESCOC(=O)C(C)(N)COCCC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-10(2,3)6-7-15-8-11(4,12)9(13)14-5/h6-8,12H2,1-5H3
InChIKeyJYWFIHFMKRNEFZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.33
Rot. Bonds5

About methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate

methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate (PubChem CID 66226341) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate
PubChem CID66226341
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Namemethyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate
SMILESCOC(=O)C(C)(N)COCCC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-10(2,3)6-7-15-8-11(4,12)9(13)14-5/h6-8,12H2,1-5H3
InChIKeyJYWFIHFMKRNEFZ-UHFFFAOYSA-N
XLogP1.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.33
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate?
The IUPAC name of methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate (CID 66226341) is methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate.
What is the SMILES notation for methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate?
The canonical SMILES for methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate is COC(=O)C(C)(N)COCCC(C)(C)C.
What is the InChIKey of methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate?
The InChIKey is JYWFIHFMKRNEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-10(2,3)6-7-15-8-11(4,12)9(13)14-5/h6-8,12H2,1-5H3.
What are the key properties of methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate?
methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate has a molecular weight of 217.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate is sourced from PubChem (CID 66226341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).