2-(ethenoxymethylamino)ethyl 2,2-dimethylbutanoate

C11H21NO3 — CID 21049886

IUPAC2-(ethenoxymethylamino)ethyl 2,2-dimethylbutanoate
SMILESC=COCNCCOC(=O)C(C)(C)CC
InChIInChI=1S/C11H21NO3/c1-5-11(3,4)10(13)15-8-7-12-9-14-6-2/h6,12H,2,5,7-9H2,1,3-4H3
InChIKeyGIGDNWZSHMCNDS-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.67
Rot. Bonds8

About 2-(ethenoxymethylamino)ethyl 2,2-dimethylbutanoate

2-(ethenoxymethylamino)ethyl 2,2-dimethylbutanoate (PubChem CID 21049886) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(ethenoxymethylamino)ethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-(ethenoxymethylamino)ethyl 2,2-dimethylbutanoate
PubChem CID21049886
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(ethenoxymethylamino)ethyl 2,2-dimethylbutanoate
SMILESC=COCNCCOC(=O)C(C)(C)CC
InChIInChI=1S/C11H21NO3/c1-5-11(3,4)10(13)15-8-7-12-9-14-6-2/h6,12H,2,5,7-9H2,1,3-4H3
InChIKeyGIGDNWZSHMCNDS-UHFFFAOYSA-N
XLogP1.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(Methoxycarbonylamino)ethyl 2,2-dimethylbutanoate
CID 21335552
2-(2,2-Dimethylbutanoyloxy)ethyl-diethylazanium
CID 18721070
2-(2,2-Dimethylbutanoyloxy)ethyl-dimethylazanium
CID 18721527
2-(Methylamino)ethyl 2,2-dimethylbutanoate
CID 20678193
2-(Ethenoxymethylamino)ethyl 2,2-bis(hydroxymethyl)butanoate
CID 20751105
4-(Ethenoxymethylamino)butyl 2,2-dimethylbutanoate
CID 21049890
2-(Methoxymethylamino)ethyl 2,2-dimethylbutanoate
CID 23517428
2-(Butylamino)ethyl 2,2-dimethylbutanoate
CID 58152743
1-(Methoxymethylamino)propan-2-yl 2,2-dimethylbutanoate
CID 58364173
2-(Prop-1-en-2-yloxymethylamino)ethyl 2,2-dimethylbutanoate
CID 60064535
1-(2,2-Dimethylbutanoyloxy)propan-2-yl-methanidylazanium
CID 88947749
2-(2,2-Dimethylbutanoyloxy)ethyl-dimethylazanium acetate
CID 90687867

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethylamino)ethyl 2,2-dimethylbutanoate?
The IUPAC name of 2-(ethenoxymethylamino)ethyl 2,2-dimethylbutanoate (CID 21049886) is 2-(ethenoxymethylamino)ethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-(ethenoxymethylamino)ethyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-(ethenoxymethylamino)ethyl 2,2-dimethylbutanoate is C=COCNCCOC(=O)C(C)(C)CC.
What is the InChIKey of 2-(ethenoxymethylamino)ethyl 2,2-dimethylbutanoate?
The InChIKey is GIGDNWZSHMCNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-11(3,4)10(13)15-8-7-12-9-14-6-2/h6,12H,2,5,7-9H2,1,3-4H3.
What are the key properties of 2-(ethenoxymethylamino)ethyl 2,2-dimethylbutanoate?
2-(ethenoxymethylamino)ethyl 2,2-dimethylbutanoate has a molecular weight of 215.29 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethylamino)ethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 21049886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).