(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride

C11H16ClNO2 — CID 66988599

IUPAC(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride
SMILESCN[C@@](C)(Cc1ccccc1)C(=O)O.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-11(12-2,10(13)14)8-9-6-4-3-5-7-9;/h3-7,12H,8H2,1-2H3,(H,13,14);1H/t11-;/m0./s1
InChIKeyHXBIEUYUVPFXIX-MERQFXBCSA-N
MW229.71 g/mol
LogP1.71
Rot. Bonds4

About (2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride

(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride (PubChem CID 66988599) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is (2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride
PubChem CID66988599
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride
SMILESCN[C@@](C)(Cc1ccccc1)C(=O)O.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-11(12-2,10(13)14)8-9-6-4-3-5-7-9;/h3-7,12H,8H2,1-2H3,(H,13,14);1H/t11-;/m0./s1
InChIKeyHXBIEUYUVPFXIX-MERQFXBCSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid
CID 88787436
3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid
CID 24978280
3-(3,4-dihydroxyphenyl)-2-methyl-2-(methylamino)propanoic acid
CID 23724779
2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid
CID 114988664
3-(3,4-dihydroxyphenyl)-2-methyl-2-(methylamino)propanoic acid;hydrate
CID 23724778
(2R)-2-[[(2S)-2-amino-2-methyl-3-phenylpropanoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 134918907
2-methyl-3-phenyl-2-(prop-2-enylamino)propanoic acid
CID 114988665
2-[3-(dimethylamino)propylamino]-2-methyl-3-phenylpropanoic acid
CID 71564969
2-methyl-2-(2-methylbutylamino)-3-phenylpropanoic acid
CID 114992828
2-methyl-2-(pentan-2-ylamino)-3-phenylpropanoic acid
CID 114992820
2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid
CID 71564959
2-(3-ethylanilino)-2-methyl-3-phenylpropanoic acid
CID 71564937

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride?
The IUPAC name of (2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride (CID 66988599) is (2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride is CN[C@@](C)(Cc1ccccc1)C(=O)O.Cl.
What is the InChIKey of (2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride?
The InChIKey is HXBIEUYUVPFXIX-MERQFXBCSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-11(12-2,10(13)14)8-9-6-4-3-5-7-9;/h3-7,12H,8H2,1-2H3,(H,13,14);1H/t11-;/m0./s1.
What are the key properties of (2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride?
(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride is sourced from PubChem (CID 66988599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).