3-(dimethylamino)-3-phenylpropanoic acid

C11H15NO2 — CID 12520908

IUPAC3-(dimethylamino)-3-phenylpropanoic acid
SMILESCN(C)C(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)
InChIKeyJTKDHNKYUPVADI-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.76
Rot. Bonds4

About 3-(dimethylamino)-3-phenylpropanoic acid

3-(dimethylamino)-3-phenylpropanoic acid (PubChem CID 12520908) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(dimethylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-3-phenylpropanoic acid
PubChem CID12520908
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(dimethylamino)-3-phenylpropanoic acid
SMILESCN(C)C(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)
InChIKeyJTKDHNKYUPVADI-UHFFFAOYSA-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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Related Compounds

(3S)-3-amino-3-phenylpropanoic acid
CID 686704
3-Acetamido-3-phenylpropanoic acid
CID 3480882
DL-beta-Phenylalanine
CID 69189
3-(2,2-Dimethyl-propionylamino)-3-phenyl-propionic acid
CID 3677278
(4-Methyl-piperidin-1-YL)-phenyl-acetic acid hydrochloride
CID 16192951
3-Acetamido-3-(4-fluorophenyl)propanoic acid
CID 3121001
2-(Dimethylamino)-3-phenylpropanoic acid
CID 140236
3-Amino-3-(4-fluorophenyl)propanoic acid
CID 579885
3-Amino-3-(4-methylphenyl)propanoic acid
CID 2733680
Methyl 3-amino-3-phenylpropionate
CID 2755328
D-beta-Homophenylalanine
CID 5706674
2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride
CID 16189437

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-phenylpropanoic acid?
The IUPAC name of 3-(dimethylamino)-3-phenylpropanoic acid (CID 12520908) is 3-(dimethylamino)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(dimethylamino)-3-phenylpropanoic acid?
The canonical SMILES for 3-(dimethylamino)-3-phenylpropanoic acid is CN(C)C(CC(=O)O)c1ccccc1.
What is the InChIKey of 3-(dimethylamino)-3-phenylpropanoic acid?
The InChIKey is JTKDHNKYUPVADI-UHFFFAOYSA-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).
What are the key properties of 3-(dimethylamino)-3-phenylpropanoic acid?
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 3-(dimethylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 12520908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).