methyl 2-amino-2-methyl-3-phenylpropanoate

C11H15NO2 — CID 568302

IUPACmethyl 2-amino-2-methyl-3-phenylpropanoate
SMILESCOC(=O)C(C)(N)Cc1ccccc1
InChIInChI=1S/C11H15NO2/c1-11(12,10(13)14-2)8-9-6-4-3-5-7-9/h3-7H,8,12H2,1-2H3
InChIKeyDAOFJPZFGBKAMZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.12
Rot. Bonds3

About methyl 2-amino-2-methyl-3-phenylpropanoate

methyl 2-amino-2-methyl-3-phenylpropanoate (PubChem CID 568302) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 2-amino-2-methyl-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methyl-3-phenylpropanoate
PubChem CID568302
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 2-amino-2-methyl-3-phenylpropanoate
SMILESCOC(=O)C(C)(N)Cc1ccccc1
InChIInChI=1S/C11H15NO2/c1-11(12,10(13)14-2)8-9-6-4-3-5-7-9/h3-7H,8,12H2,1-2H3
InChIKeyDAOFJPZFGBKAMZ-UHFFFAOYSA-N
XLogP1.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-amino-2-methyl-3-phenylpropanoate 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 methyl 2-amino-2-methyl-3-phenylpropanoate?
The IUPAC name of methyl 2-amino-2-methyl-3-phenylpropanoate (CID 568302) is methyl 2-amino-2-methyl-3-phenylpropanoate.
What is the SMILES notation for methyl 2-amino-2-methyl-3-phenylpropanoate?
The canonical SMILES for methyl 2-amino-2-methyl-3-phenylpropanoate is COC(=O)C(C)(N)Cc1ccccc1.
What is the InChIKey of methyl 2-amino-2-methyl-3-phenylpropanoate?
The InChIKey is DAOFJPZFGBKAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(12,10(13)14-2)8-9-6-4-3-5-7-9/h3-7H,8,12H2,1-2H3.
What are the key properties of methyl 2-amino-2-methyl-3-phenylpropanoate?
methyl 2-amino-2-methyl-3-phenylpropanoate has a molecular weight of 193.25 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-methyl-3-phenylpropanoate is sourced from PubChem (CID 568302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).