methyl 3-amino-2-hydroxy-3-phenylbutanoate

C11H15NO3 — CID 74334118

IUPACmethyl 3-amino-2-hydroxy-3-phenylbutanoate
SMILESCOC(=O)C(O)C(C)(N)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-11(12,9(13)10(14)15-2)8-6-4-3-5-7-8/h3-7,9,13H,12H2,1-2H3
InChIKeyMKWCLDBZADXSJJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.39
Rot. Bonds3

About methyl 3-amino-2-hydroxy-3-phenylbutanoate

methyl 3-amino-2-hydroxy-3-phenylbutanoate (PubChem CID 74334118) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 3-amino-2-hydroxy-3-phenylbutanoate.

Molecular Properties

Compound Namemethyl 3-amino-2-hydroxy-3-phenylbutanoate
PubChem CID74334118
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl 3-amino-2-hydroxy-3-phenylbutanoate
SMILESCOC(=O)C(O)C(C)(N)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-11(12,9(13)10(14)15-2)8-6-4-3-5-7-8/h3-7,9,13H,12H2,1-2H3
InChIKeyMKWCLDBZADXSJJ-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-3-phenoxy-3-phenylbutanoate
CID 15766824
(2S,3R)-3-amino-2-hydroxy-3-phenylbutanamide;2,2,2-trifluoroacetic acid
CID 161347199
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
methyl 3-(4-bromophenoxy)-2-hydroxy-3-phenylbutanoate
CID 15292297
methyl 3,3,3-triphenyl-2-sulfanylpropanoate
CID 54400813
methyl (2S)-2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate
CID 43786736
methyl 2-[(4-methyl-4-phenylpentan-2-yl)amino]propanoate
CID 60781932
methyl 3-(4-bromophenyl)-2,4-dihydroxy-3-phenylbutanoate
CID 70277013
3-amino-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-phenylbutanoic acid
CID 77323942
methyl 3-amino-2-benzamido-3-methylbutanoate
CID 123291153
methyl (2S)-2-hydroxy-3-trityloxypropanoate
CID 11760225
methyl (3S)-3-hydroxy-2-(tritylamino)butanoate
CID 59698250

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-hydroxy-3-phenylbutanoate?
The IUPAC name of methyl 3-amino-2-hydroxy-3-phenylbutanoate (CID 74334118) is methyl 3-amino-2-hydroxy-3-phenylbutanoate.
What is the SMILES notation for methyl 3-amino-2-hydroxy-3-phenylbutanoate?
The canonical SMILES for methyl 3-amino-2-hydroxy-3-phenylbutanoate is COC(=O)C(O)C(C)(N)c1ccccc1.
What is the InChIKey of methyl 3-amino-2-hydroxy-3-phenylbutanoate?
The InChIKey is MKWCLDBZADXSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(12,9(13)10(14)15-2)8-6-4-3-5-7-8/h3-7,9,13H,12H2,1-2H3.
What are the key properties of methyl 3-amino-2-hydroxy-3-phenylbutanoate?
methyl 3-amino-2-hydroxy-3-phenylbutanoate has a molecular weight of 209.25 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-hydroxy-3-phenylbutanoate is sourced from PubChem (CID 74334118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).