3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid

C11H15NO3 — CID 555334

IUPAC3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid
SMILESCNC(C)(C(=O)O)C(O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-11(12-2,10(14)15)9(13)8-6-4-3-5-7-8/h3-7,9,12-13H,1-2H3,(H,14,15)
InChIKeyJKUYGBDTUDIIAI-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.78
Rot. Bonds4

About 3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid

3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid (PubChem CID 555334) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid
PubChem CID555334
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid
SMILESCNC(C)(C(=O)O)C(O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-11(12-2,10(14)15)9(13)8-6-4-3-5-7-8/h3-7,9,12-13H,1-2H3,(H,14,15)
InChIKeyJKUYGBDTUDIIAI-UHFFFAOYSA-N
XLogP0.78
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 67719193
(2S,3R)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 22874185
(2S,3S)-2-amino-3-hydroxy-2-methyl-3-phenylpropanamide
CID 11424108
3-(4-fluorophenyl)-2-hydrazinyl-3-hydroxy-2-methylpropanoic acid
CID 166652474
methyl 2-acetamido-3-hydroxy-2-methyl-3-phenylpropanoate
CID 3841586
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
3,4-dihydroxy-3-methyl-4-phenylbutan-2-one
CID 15758929
methyl (2S,3S)-2,3-dihydroxy-2-methyl-3-phenylpropanoate
CID 13435156
2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol
CID 174574615
(1S)-2-amino-2-methyl-1-phenylpropan-1-ol
CID 38988546
3-methyl-3-(methylamino)-2-phenylbutanoic acid;hydrochloride
CID 70203026
(1R,2S)-2,3,3-trimethyl-1-phenylbutane-1,2-diol
CID 10774737

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid?
The IUPAC name of 3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid (CID 555334) is 3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid.
What is the SMILES notation for 3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid?
The canonical SMILES for 3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid is CNC(C)(C(=O)O)C(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid?
The InChIKey is JKUYGBDTUDIIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(12-2,10(14)15)9(13)8-6-4-3-5-7-8/h3-7,9,12-13H,1-2H3,(H,14,15).
What are the key properties of 3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid?
3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid has a molecular weight of 209.25 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 555334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).