(2S)-2-(dimethylamino)-3-phenylpropanoic acid

C11H15NO2 — CID 11830289

IUPAC(2S)-2-(dimethylamino)-3-phenylpropanoic acid
SMILESCN(C)[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO2/c1-12(2)10(11(13)14)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyHOGIQTACRLIOHC-JTQLQIEISA-N
MW193.25 g/mol
LogP1.24
Rot. Bonds4

About (2S)-2-(dimethylamino)-3-phenylpropanoic acid

(2S)-2-(dimethylamino)-3-phenylpropanoic acid (PubChem CID 11830289) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-3-phenylpropanoic acid
PubChem CID11830289
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2S)-2-(dimethylamino)-3-phenylpropanoic acid
SMILESCN(C)[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO2/c1-12(2)10(11(13)14)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyHOGIQTACRLIOHC-JTQLQIEISA-N
XLogP1.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-(dimethylamino)-3-phenylpropanoic acid (CID 11830289) is (2S)-2-(dimethylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-(dimethylamino)-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-(dimethylamino)-3-phenylpropanoic acid is CN(C)[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-(dimethylamino)-3-phenylpropanoic acid?
The InChIKey is HOGIQTACRLIOHC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO2/c1-12(2)10(11(13)14)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-3-phenylpropanoic acid?
(2S)-2-(dimethylamino)-3-phenylpropanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 11830289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).