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

C11H15NO2 — CID 7021804

IUPACmethyl (2S)-2-(methylamino)-3-phenylpropanoate
SMILESCN[C@@H](Cc1ccccc1)C(=O)OC
InChIInChI=1S/C11H15NO2/c1-12-10(11(13)14-2)8-9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3/t10-/m0/s1
InChIKeyVJXKYPIBDBDIJL-JTQLQIEISA-N
MW193.25 g/mol
LogP0.99
Rot. Bonds4

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

methyl (2S)-2-(methylamino)-3-phenylpropanoate (PubChem CID 7021804) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl (2S)-2-(methylamino)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(methylamino)-3-phenylpropanoate
PubChem CID7021804
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl (2S)-2-(methylamino)-3-phenylpropanoate
SMILESCN[C@@H](Cc1ccccc1)C(=O)OC
InChIInChI=1S/C11H15NO2/c1-12-10(11(13)14-2)8-9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3/t10-/m0/s1
InChIKeyVJXKYPIBDBDIJL-JTQLQIEISA-N
XLogP0.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(methylamino)-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-(methylamino)-3-phenylpropanoate (CID 7021804) is methyl (2S)-2-(methylamino)-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-(methylamino)-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-(methylamino)-3-phenylpropanoate is CN[C@@H](Cc1ccccc1)C(=O)OC.
What is the InChIKey of methyl (2S)-2-(methylamino)-3-phenylpropanoate?
The InChIKey is VJXKYPIBDBDIJL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-10(11(13)14-2)8-9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-(methylamino)-3-phenylpropanoate?
methyl (2S)-2-(methylamino)-3-phenylpropanoate has a molecular weight of 193.25 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(methylamino)-3-phenylpropanoate is sourced from PubChem (CID 7021804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).