tert-butyl 2-(methylamino)acetate

C7H15NO2 — CID 5069406

IUPACtert-butyl 2-(methylamino)acetate
SMILESCNCC(=O)OC(C)(C)C
InChIInChI=1S/C7H15NO2/c1-7(2,3)10-6(9)5-8-4/h8H,5H2,1-4H3
InChIKeyMYKMOIQAHCMLIR-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.55
Rot. Bonds2

About tert-butyl 2-(methylamino)acetate

tert-butyl 2-(methylamino)acetate (PubChem CID 5069406) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is tert-butyl 2-(methylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(methylamino)acetate
PubChem CID5069406
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nametert-butyl 2-(methylamino)acetate
SMILESCNCC(=O)OC(C)(C)C
InChIInChI=1S/C7H15NO2/c1-7(2,3)10-6(9)5-8-4/h8H,5H2,1-4H3
InChIKeyMYKMOIQAHCMLIR-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(methylamino)acetate?
The IUPAC name of tert-butyl 2-(methylamino)acetate (CID 5069406) is tert-butyl 2-(methylamino)acetate.
What is the SMILES notation for tert-butyl 2-(methylamino)acetate?
The canonical SMILES for tert-butyl 2-(methylamino)acetate is CNCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(methylamino)acetate?
The InChIKey is MYKMOIQAHCMLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2,3)10-6(9)5-8-4/h8H,5H2,1-4H3.
What are the key properties of tert-butyl 2-(methylamino)acetate?
tert-butyl 2-(methylamino)acetate has a molecular weight of 145.20 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(methylamino)acetate is sourced from PubChem (CID 5069406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).