tert-butyl 2-methyl-2-(methylamino)propanoate

C9H19NO2 — CID 20649466

IUPACtert-butyl 2-methyl-2-(methylamino)propanoate
SMILESCNC(C)(C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-8(2,3)12-7(11)9(4,5)10-6/h10H,1-6H3
InChIKeySPLYJXCZRVHKKP-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.33
Rot. Bonds2

About tert-butyl 2-methyl-2-(methylamino)propanoate

tert-butyl 2-methyl-2-(methylamino)propanoate (PubChem CID 20649466) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is tert-butyl 2-methyl-2-(methylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 2-methyl-2-(methylamino)propanoate
PubChem CID20649466
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nametert-butyl 2-methyl-2-(methylamino)propanoate
SMILESCNC(C)(C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-8(2,3)12-7(11)9(4,5)10-6/h10H,1-6H3
InChIKeySPLYJXCZRVHKKP-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-methyl-2-(methylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-2-(methylamino)propanoate?
The IUPAC name of tert-butyl 2-methyl-2-(methylamino)propanoate (CID 20649466) is tert-butyl 2-methyl-2-(methylamino)propanoate.
What is the SMILES notation for tert-butyl 2-methyl-2-(methylamino)propanoate?
The canonical SMILES for tert-butyl 2-methyl-2-(methylamino)propanoate is CNC(C)(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-2-(methylamino)propanoate?
The InChIKey is SPLYJXCZRVHKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2,3)12-7(11)9(4,5)10-6/h10H,1-6H3.
What are the key properties of tert-butyl 2-methyl-2-(methylamino)propanoate?
tert-butyl 2-methyl-2-(methylamino)propanoate has a molecular weight of 173.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-2-(methylamino)propanoate is sourced from PubChem (CID 20649466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).