methyl 3-amino-2-methyl-2-phenylpropanoate;hydrochloride

C11H16ClNO2 — CID 75525676

IUPACmethyl 3-amino-2-methyl-2-phenylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(CN)c1ccccc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-11(8-12,10(13)14-2)9-6-4-3-5-7-9;/h3-7H,8,12H2,1-2H3;1H
InChIKeyGNLWJHVRAXKHCP-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.50
Rot. Bonds3

About methyl 3-amino-2-methyl-2-phenylpropanoate;hydrochloride

methyl 3-amino-2-methyl-2-phenylpropanoate;hydrochloride (PubChem CID 75525676) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is methyl 3-amino-2-methyl-2-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-amino-2-methyl-2-phenylpropanoate;hydrochloride
PubChem CID75525676
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Namemethyl 3-amino-2-methyl-2-phenylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(CN)c1ccccc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-11(8-12,10(13)14-2)9-6-4-3-5-7-9;/h3-7H,8,12H2,1-2H3;1H
InChIKeyGNLWJHVRAXKHCP-UHFFFAOYSA-N
XLogP1.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-methyl-2-phenylpropanoate;hydrochloride?
The IUPAC name of methyl 3-amino-2-methyl-2-phenylpropanoate;hydrochloride (CID 75525676) is methyl 3-amino-2-methyl-2-phenylpropanoate;hydrochloride.
What is the SMILES notation for methyl 3-amino-2-methyl-2-phenylpropanoate;hydrochloride?
The canonical SMILES for methyl 3-amino-2-methyl-2-phenylpropanoate;hydrochloride is COC(=O)C(C)(CN)c1ccccc1.Cl.
What is the InChIKey of methyl 3-amino-2-methyl-2-phenylpropanoate;hydrochloride?
The InChIKey is GNLWJHVRAXKHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-11(8-12,10(13)14-2)9-6-4-3-5-7-9;/h3-7H,8,12H2,1-2H3;1H.
What are the key properties of methyl 3-amino-2-methyl-2-phenylpropanoate;hydrochloride?
methyl 3-amino-2-methyl-2-phenylpropanoate;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-methyl-2-phenylpropanoate;hydrochloride is sourced from PubChem (CID 75525676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).