methyl 2-amino-3-(4-hydroxyphenyl)butanoate

C11H15NO3 — CID 83909294

IUPACmethyl 2-amino-3-(4-hydroxyphenyl)butanoate
SMILESCOC(=O)C(N)C(C)c1ccc(O)cc1
InChIInChI=1S/C11H15NO3/c1-7(10(12)11(14)15-2)8-3-5-9(13)6-4-8/h3-7,10,13H,12H2,1-2H3
InChIKeyGLJJZQMGMWARPU-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.00
Rot. Bonds3

About methyl 2-amino-3-(4-hydroxyphenyl)butanoate

methyl 2-amino-3-(4-hydroxyphenyl)butanoate (PubChem CID 83909294) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 2-amino-3-(4-hydroxyphenyl)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(4-hydroxyphenyl)butanoate
PubChem CID83909294
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl 2-amino-3-(4-hydroxyphenyl)butanoate
SMILESCOC(=O)C(N)C(C)c1ccc(O)cc1
InChIInChI=1S/C11H15NO3/c1-7(10(12)11(14)15-2)8-3-5-9(13)6-4-8/h3-7,10,13H,12H2,1-2H3
InChIKeyGLJJZQMGMWARPU-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(4-hydroxyphenyl)butanoate?
The IUPAC name of methyl 2-amino-3-(4-hydroxyphenyl)butanoate (CID 83909294) is methyl 2-amino-3-(4-hydroxyphenyl)butanoate.
What is the SMILES notation for methyl 2-amino-3-(4-hydroxyphenyl)butanoate?
The canonical SMILES for methyl 2-amino-3-(4-hydroxyphenyl)butanoate is COC(=O)C(N)C(C)c1ccc(O)cc1.
What is the InChIKey of methyl 2-amino-3-(4-hydroxyphenyl)butanoate?
The InChIKey is GLJJZQMGMWARPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(10(12)11(14)15-2)8-3-5-9(13)6-4-8/h3-7,10,13H,12H2,1-2H3.
What are the key properties of methyl 2-amino-3-(4-hydroxyphenyl)butanoate?
methyl 2-amino-3-(4-hydroxyphenyl)butanoate has a molecular weight of 209.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(4-hydroxyphenyl)butanoate is sourced from PubChem (CID 83909294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).