methyl (2R)-2-(methylamino)-3-phenylpropanoate;hydrochloride

C11H16ClNO2 — CID 67675751

IUPACmethyl (2R)-2-(methylamino)-3-phenylpropanoate;hydrochloride
SMILESCN[C@H](Cc1ccccc1)C(=O)OC.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-12-10(11(13)14-2)8-9-6-4-3-5-7-9;/h3-7,10,12H,8H2,1-2H3;1H/t10-;/m1./s1
InChIKeyZIFGLAQTUGRAAB-HNCPQSOCSA-N
MW229.71 g/mol
LogP1.41
Rot. Bonds4

About methyl (2R)-2-(methylamino)-3-phenylpropanoate;hydrochloride

methyl (2R)-2-(methylamino)-3-phenylpropanoate;hydrochloride (PubChem CID 67675751) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is methyl (2R)-2-(methylamino)-3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-(methylamino)-3-phenylpropanoate;hydrochloride
PubChem CID67675751
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Namemethyl (2R)-2-(methylamino)-3-phenylpropanoate;hydrochloride
SMILESCN[C@H](Cc1ccccc1)C(=O)OC.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-12-10(11(13)14-2)8-9-6-4-3-5-7-9;/h3-7,10,12H,8H2,1-2H3;1H/t10-;/m1./s1
InChIKeyZIFGLAQTUGRAAB-HNCPQSOCSA-N
XLogP1.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(methylamino)-3-phenylpropanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-(methylamino)-3-phenylpropanoate;hydrochloride (CID 67675751) is methyl (2R)-2-(methylamino)-3-phenylpropanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-(methylamino)-3-phenylpropanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-(methylamino)-3-phenylpropanoate;hydrochloride is CN[C@H](Cc1ccccc1)C(=O)OC.Cl.
What is the InChIKey of methyl (2R)-2-(methylamino)-3-phenylpropanoate;hydrochloride?
The InChIKey is ZIFGLAQTUGRAAB-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-12-10(11(13)14-2)8-9-6-4-3-5-7-9;/h3-7,10,12H,8H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of methyl (2R)-2-(methylamino)-3-phenylpropanoate;hydrochloride?
methyl (2R)-2-(methylamino)-3-phenylpropanoate;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(methylamino)-3-phenylpropanoate;hydrochloride is sourced from PubChem (CID 67675751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).