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

C11H15NO2 — CID 51374247

IUPAC(2S)-2-(dimethylamino)-2-phenylpropanoic acid
SMILESCN(C)[C@](C)(C(=O)O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-11(10(13)14,12(2)3)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,14)/t11-/m0/s1
InChIKeyJVWZSHDIPVXYQE-NSHDSACASA-N
MW193.25 g/mol
LogP1.55
Rot. Bonds3

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

(2S)-2-(dimethylamino)-2-phenylpropanoic acid (PubChem CID 51374247) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-phenylpropanoic acid
PubChem CID51374247
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2S)-2-(dimethylamino)-2-phenylpropanoic acid
SMILESCN(C)[C@](C)(C(=O)O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-11(10(13)14,12(2)3)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,14)/t11-/m0/s1
InChIKeyJVWZSHDIPVXYQE-NSHDSACASA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-2-phenylpropanoic acid
CID 3613790
(2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid
CID 51887906
2-(dimethylamino)-2-pyridin-4-ylpropanoic acid
CID 43803131
2-(dimethylamino)-2-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 68774111
2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid
CID 43803122
(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)propanoic acid
CID 93297247
2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid
CID 114992793
2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid
CID 114992186
2-(dimethylamino)-2,2-diphenylacetic acid
CID 175762255
2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid
CID 70010051
2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid
CID 67917348
2-[acetyl(cyclopropyl)amino]-2-phenylpropanoic acid
CID 63703192

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-phenylpropanoic acid?
The IUPAC name of (2S)-2-(dimethylamino)-2-phenylpropanoic acid (CID 51374247) is (2S)-2-(dimethylamino)-2-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-phenylpropanoic acid?
The canonical SMILES for (2S)-2-(dimethylamino)-2-phenylpropanoic acid is CN(C)[C@](C)(C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-(dimethylamino)-2-phenylpropanoic acid?
The InChIKey is JVWZSHDIPVXYQE-NSHDSACASA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(10(13)14,12(2)3)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,14)/t11-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-phenylpropanoic acid?
(2S)-2-(dimethylamino)-2-phenylpropanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-phenylpropanoic acid is sourced from PubChem (CID 51374247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).