(3R)-3-(dimethylamino)-3-phenylpropanoic acid

C11H15NO2 — CID 28743062

IUPAC(3R)-3-(dimethylamino)-3-phenylpropanoic acid
SMILESCN(C)[C@H](CC(=O)O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-12(2)10(8-11(13)14)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyJTKDHNKYUPVADI-SNVBAGLBSA-N
MW193.25 g/mol
LogP1.76
Rot. Bonds4

About (3R)-3-(dimethylamino)-3-phenylpropanoic acid

(3R)-3-(dimethylamino)-3-phenylpropanoic acid (PubChem CID 28743062) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3R)-3-(dimethylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-(dimethylamino)-3-phenylpropanoic acid
PubChem CID28743062
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3R)-3-(dimethylamino)-3-phenylpropanoic acid
SMILESCN(C)[C@H](CC(=O)O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-12(2)10(8-11(13)14)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyJTKDHNKYUPVADI-SNVBAGLBSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(dimethylamino)-3-phenylpropanoic acid?
The IUPAC name of (3R)-3-(dimethylamino)-3-phenylpropanoic acid (CID 28743062) is (3R)-3-(dimethylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (3R)-3-(dimethylamino)-3-phenylpropanoic acid?
The canonical SMILES for (3R)-3-(dimethylamino)-3-phenylpropanoic acid is CN(C)[C@H](CC(=O)O)c1ccccc1.
What is the InChIKey of (3R)-3-(dimethylamino)-3-phenylpropanoic acid?
The InChIKey is JTKDHNKYUPVADI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12(2)10(8-11(13)14)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (3R)-3-(dimethylamino)-3-phenylpropanoic acid?
(3R)-3-(dimethylamino)-3-phenylpropanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(dimethylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 28743062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).