methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate

C11H15NO3 — CID 20846170

IUPACmethyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
SMILESCOC(=O)[C@@H](N)Cc1ccc(O)cc1C
InChIInChI=1S/C11H15NO3/c1-7-5-9(13)4-3-8(7)6-10(12)11(14)15-2/h3-5,10,13H,6,12H2,1-2H3/t10-/m0/s1
InChIKeyCBYXMOVGBHFPRO-JTQLQIEISA-N
MW209.25 g/mol
LogP0.74
Rot. Bonds3

About methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate

methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate (PubChem CID 20846170) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
PubChem CID20846170
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
SMILESCOC(=O)[C@@H](N)Cc1ccc(O)cc1C
InChIInChI=1S/C11H15NO3/c1-7-5-9(13)4-3-8(7)6-10(12)11(14)15-2/h3-5,10,13H,6,12H2,1-2H3/t10-/m0/s1
InChIKeyCBYXMOVGBHFPRO-JTQLQIEISA-N
XLogP0.74
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
CID 15730454
methyl (2S)-2-amino-3-(2,4-dimethylphenyl)propanoate
CID 91978759
methyl 4-[(2S)-2-amino-3-methoxy-3-oxopropyl]-3-methylbenzoate
CID 171238342
methyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate
CID 174643019
methyl (2S)-2-acetamido-3-(4-hydroxy-2-methylphenyl)propanoate
CID 57148756
(2S)-2-amino-N-[(2S)-1-amino-3-(4-hydroxy-2-methylphenyl)-1-oxopropan-2-yl]-3-(4-hydroxy-2-methylphenyl)propanamide
CID 56985901
methyl (2S)-2-amino-3-(2-benzyl-4-hydroxyphenyl)propanoate
CID 57157888
ethyl (2S)-2-[(4-hydroxy-2-methylphenyl)methyl]butanoate
CID 129390937
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 14288547
methyl (2S)-3-(4-hydroxy-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 68762614
methyl (2R)-2-amino-3-(3-methyl-4-pyridinyl)propanoate
CID 55277902

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate?
The IUPAC name of methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate (CID 20846170) is methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate?
The canonical SMILES for methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate is COC(=O)[C@@H](N)Cc1ccc(O)cc1C.
What is the InChIKey of methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate?
The InChIKey is CBYXMOVGBHFPRO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-5-9(13)4-3-8(7)6-10(12)11(14)15-2/h3-5,10,13H,6,12H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate?
methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate has a molecular weight of 209.25 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate is sourced from PubChem (CID 20846170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).