methyl 2-methyl-2-(methylamino)-3-phenylpropanoate

C12H17NO2 — CID 59730504

IUPACmethyl 2-methyl-2-(methylamino)-3-phenylpropanoate
SMILESCNC(C)(Cc1ccccc1)C(=O)OC
InChIInChI=1S/C12H17NO2/c1-12(13-2,11(14)15-3)9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3
InChIKeyCARXDTHBRLXJPH-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.38
Rot. Bonds4

About methyl 2-methyl-2-(methylamino)-3-phenylpropanoate

methyl 2-methyl-2-(methylamino)-3-phenylpropanoate (PubChem CID 59730504) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl 2-methyl-2-(methylamino)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(methylamino)-3-phenylpropanoate
PubChem CID59730504
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl 2-methyl-2-(methylamino)-3-phenylpropanoate
SMILESCNC(C)(Cc1ccccc1)C(=O)OC
InChIInChI=1S/C12H17NO2/c1-12(13-2,11(14)15-3)9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3
InChIKeyCARXDTHBRLXJPH-UHFFFAOYSA-N
XLogP1.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(methylamino)-3-phenylpropanoate?
The IUPAC name of methyl 2-methyl-2-(methylamino)-3-phenylpropanoate (CID 59730504) is methyl 2-methyl-2-(methylamino)-3-phenylpropanoate.
What is the SMILES notation for methyl 2-methyl-2-(methylamino)-3-phenylpropanoate?
The canonical SMILES for methyl 2-methyl-2-(methylamino)-3-phenylpropanoate is CNC(C)(Cc1ccccc1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(methylamino)-3-phenylpropanoate?
The InChIKey is CARXDTHBRLXJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(13-2,11(14)15-3)9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3.
What are the key properties of methyl 2-methyl-2-(methylamino)-3-phenylpropanoate?
methyl 2-methyl-2-(methylamino)-3-phenylpropanoate has a molecular weight of 207.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(methylamino)-3-phenylpropanoate is sourced from PubChem (CID 59730504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).