ethyl 2-[tert-butyl(methyl)amino]acetate

C9H19NO2 — CID 14262163

IUPACethyl 2-[tert-butyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)C(C)(C)C
InChIInChI=1S/C9H19NO2/c1-6-12-8(11)7-10(5)9(2,3)4/h6-7H2,1-5H3
InChIKeyQTPDJZUDXNDDGE-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.28
Rot. Bonds3

About ethyl 2-[tert-butyl(methyl)amino]acetate

ethyl 2-[tert-butyl(methyl)amino]acetate (PubChem CID 14262163) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethyl 2-[tert-butyl(methyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[tert-butyl(methyl)amino]acetate
PubChem CID14262163
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethyl 2-[tert-butyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)C(C)(C)C
InChIInChI=1S/C9H19NO2/c1-6-12-8(11)7-10(5)9(2,3)4/h6-7H2,1-5H3
InChIKeyQTPDJZUDXNDDGE-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[tert-butyl(methyl)amino]acetate?
The IUPAC name of ethyl 2-[tert-butyl(methyl)amino]acetate (CID 14262163) is ethyl 2-[tert-butyl(methyl)amino]acetate.
What is the SMILES notation for ethyl 2-[tert-butyl(methyl)amino]acetate?
The canonical SMILES for ethyl 2-[tert-butyl(methyl)amino]acetate is CCOC(=O)CN(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[tert-butyl(methyl)amino]acetate?
The InChIKey is QTPDJZUDXNDDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6-12-8(11)7-10(5)9(2,3)4/h6-7H2,1-5H3.
What are the key properties of ethyl 2-[tert-butyl(methyl)amino]acetate?
ethyl 2-[tert-butyl(methyl)amino]acetate has a molecular weight of 173.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[tert-butyl(methyl)amino]acetate is sourced from PubChem (CID 14262163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).