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

C18H21NO2 — CID 43803058

IUPAC2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid
SMILESCN(C)C(Cc1ccccc1)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H21NO2/c1-19(2)18(17(20)21,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,20,21)
InChIKeyPNKCDNZSUVLGGP-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.86
Rot. Bonds6

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

2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid (PubChem CID 43803058) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid
PubChem CID43803058
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid
SMILESCN(C)C(Cc1ccccc1)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H21NO2/c1-19(2)18(17(20)21,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,20,21)
InChIKeyPNKCDNZSUVLGGP-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-2-(dimethylamino)-1,3-diphenylpropan-1-one
CID 19049414
(2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid
CID 118963176
(2S)-2-benzyl-2-(dibenzylamino)pentanoic acid
CID 66813994
(2S)-2-benzyl-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-sulfanylpropanoic acid
CID 141159334
(2S)-2-[ethyl(methyl)amino]-2-methyl-3-phenylpropanoic acid
CID 91206478
2-methyl-3-phenyl-2-sulfanylpropanoic acid
CID 19690137
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride
CID 66988599
2-benzyl-2-(dimethylamino)-1-(4-fluorophenyl)butan-1-one;1,1-dichloroethane
CID 158663548
2-[butan-2-yl(methyl)amino]-2-methyl-3-phenylpropanoic acid
CID 114992824
2,2-difluoro-3-phenylpropanoic acid
CID 69365338
2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid
CID 62818448

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid?
The IUPAC name of 2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid (CID 43803058) is 2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid.
What is the SMILES notation for 2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid?
The canonical SMILES for 2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid is CN(C)C(Cc1ccccc1)(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid?
The InChIKey is PNKCDNZSUVLGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-19(2)18(17(20)21,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,20,21).
What are the key properties of 2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid?
2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid has a molecular weight of 283.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 43803058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).