3-[2,2-diphenylethyl(methyl)amino]propanoic acid

C18H21NO2 — CID 107292983

IUPAC3-[2,2-diphenylethyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-19(13-12-18(20)21)14-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,20,21)
InChIKeyWWORLWAGZRNXNB-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.22
Rot. Bonds7

About 3-[2,2-diphenylethyl(methyl)amino]propanoic acid

3-[2,2-diphenylethyl(methyl)amino]propanoic acid (PubChem CID 107292983) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[2,2-diphenylethyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2,2-diphenylethyl(methyl)amino]propanoic acid
PubChem CID107292983
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-[2,2-diphenylethyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-19(13-12-18(20)21)14-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,20,21)
InChIKeyWWORLWAGZRNXNB-UHFFFAOYSA-N
XLogP3.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl(2-phenylbutyl)amino]propanoic acid
CID 122037378
3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
CID 60989999
3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid
CID 82216497
3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
CID 82328958
3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid
CID 60990079
3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide
CID 106914853
3-[tert-butyl(2-phenylpropyl)amino]propanoic acid
CID 65058523
3-[[2-chloro-2-(4-fluorophenyl)ethyl]-methylamino]propanoic acid
CID 82214526
3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 82216587
3-[[2-hydroxy-2-(3-nitrophenyl)ethyl]-methylamino]propanoic acid
CID 82215993
3-[2,2-dihydroxyethyl(methyl)amino]propanoic acid;hydrochloride
CID 175013118
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-diphenylethyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[2,2-diphenylethyl(methyl)amino]propanoic acid (CID 107292983) is 3-[2,2-diphenylethyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[2,2-diphenylethyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[2,2-diphenylethyl(methyl)amino]propanoic acid is CN(CCC(=O)O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[2,2-diphenylethyl(methyl)amino]propanoic acid?
The InChIKey is WWORLWAGZRNXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-19(13-12-18(20)21)14-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,20,21).
What are the key properties of 3-[2,2-diphenylethyl(methyl)amino]propanoic acid?
3-[2,2-diphenylethyl(methyl)amino]propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-diphenylethyl(methyl)amino]propanoic acid is sourced from PubChem (CID 107292983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).