ethyl 2-methyl-2-(methylamino)propanoate

C7H15NO2 — CID 12634159

IUPACethyl 2-methyl-2-(methylamino)propanoate
SMILESCCOC(=O)C(C)(C)NC
InChIInChI=1S/C7H15NO2/c1-5-10-6(9)7(2,3)8-4/h8H,5H2,1-4H3
InChIKeySKMOVBQSXGOGOM-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.55
Rot. Bonds3

About ethyl 2-methyl-2-(methylamino)propanoate

ethyl 2-methyl-2-(methylamino)propanoate (PubChem CID 12634159) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is ethyl 2-methyl-2-(methylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(methylamino)propanoate
PubChem CID12634159
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameethyl 2-methyl-2-(methylamino)propanoate
SMILESCCOC(=O)C(C)(C)NC
InChIInChI=1S/C7H15NO2/c1-5-10-6(9)7(2,3)8-4/h8H,5H2,1-4H3
InChIKeySKMOVBQSXGOGOM-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 ethyl 2-methyl-2-(methylamino)propanoate?
The IUPAC name of ethyl 2-methyl-2-(methylamino)propanoate (CID 12634159) is ethyl 2-methyl-2-(methylamino)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(methylamino)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(methylamino)propanoate is CCOC(=O)C(C)(C)NC.
What is the InChIKey of ethyl 2-methyl-2-(methylamino)propanoate?
The InChIKey is SKMOVBQSXGOGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5-10-6(9)7(2,3)8-4/h8H,5H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-(methylamino)propanoate?
ethyl 2-methyl-2-(methylamino)propanoate has a molecular weight of 145.20 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(methylamino)propanoate is sourced from PubChem (CID 12634159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).