butyl 2-(2-amino-2-methylbutoxy)acetate

C11H23NO3 — CID 106940097

IUPACbutyl 2-(2-amino-2-methylbutoxy)acetate
SMILESCCCCOC(=O)COCC(C)(N)CC
InChIInChI=1S/C11H23NO3/c1-4-6-7-15-10(13)8-14-9-11(3,12)5-2/h4-9,12H2,1-3H3
InChIKeyNTGYYSNYRYOOOQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.47
Rot. Bonds8

About butyl 2-(2-amino-2-methylbutoxy)acetate

butyl 2-(2-amino-2-methylbutoxy)acetate (PubChem CID 106940097) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is butyl 2-(2-amino-2-methylbutoxy)acetate.

Molecular Properties

Compound Namebutyl 2-(2-amino-2-methylbutoxy)acetate
PubChem CID106940097
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Namebutyl 2-(2-amino-2-methylbutoxy)acetate
SMILESCCCCOC(=O)COCC(C)(N)CC
InChIInChI=1S/C11H23NO3/c1-4-6-7-15-10(13)8-14-9-11(3,12)5-2/h4-9,12H2,1-3H3
InChIKeyNTGYYSNYRYOOOQ-UHFFFAOYSA-N
XLogP1.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.47
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

butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 18318669
heptadecyl 2-[2-(2,2-dimethylpropoxy)-2-oxoethoxy]acetate
CID 91696026
butyl 2-(2-propoxyethoxy)acetate
CID 63684669
hexyl 2-(2-nonoxy-2-oxoethoxy)acetate
CID 91709730
tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate
CID 102048766
butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703098
butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703100
butyl 2-[2-oxo-2-(2,4,4-trimethylpentoxy)ethoxy]acetate
CID 91693159
ethyl 2-butoxyacetate
CID 14419651
butyl 2-ethyl-2,3,3-trimethylpentanoate
CID 166864152
heptyl 2-(2-aminoethoxy)acetate
CID 79463419
butyl 2-(2-tert-butylperoxyacetyl)oxyacetate
CID 139914905

Frequently Asked Questions

What is the IUPAC name of butyl 2-(2-amino-2-methylbutoxy)acetate?
The IUPAC name of butyl 2-(2-amino-2-methylbutoxy)acetate (CID 106940097) is butyl 2-(2-amino-2-methylbutoxy)acetate.
What is the SMILES notation for butyl 2-(2-amino-2-methylbutoxy)acetate?
The canonical SMILES for butyl 2-(2-amino-2-methylbutoxy)acetate is CCCCOC(=O)COCC(C)(N)CC.
What is the InChIKey of butyl 2-(2-amino-2-methylbutoxy)acetate?
The InChIKey is NTGYYSNYRYOOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-6-7-15-10(13)8-14-9-11(3,12)5-2/h4-9,12H2,1-3H3.
What are the key properties of butyl 2-(2-amino-2-methylbutoxy)acetate?
butyl 2-(2-amino-2-methylbutoxy)acetate has a molecular weight of 217.31 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2-amino-2-methylbutoxy)acetate is sourced from PubChem (CID 106940097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).