2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid

C10H13NO4 — CID 91976642

IUPAC2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid
SMILESCC(N)(COc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H13NO4/c1-10(11,9(13)14)6-15-8-4-2-7(12)3-5-8/h2-5,12H,6,11H2,1H3,(H,13,14)
InChIKeyUKKZVSSXBXYGBU-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.57
Rot. Bonds4

About 2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid

2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid (PubChem CID 91976642) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid
PubChem CID91976642
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid
SMILESCC(N)(COc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H13NO4/c1-10(11,9(13)14)6-15-8-4-2-7(12)3-5-8/h2-5,12H,6,11H2,1H3,(H,13,14)
InChIKeyUKKZVSSXBXYGBU-UHFFFAOYSA-N
XLogP0.57
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid?
The IUPAC name of 2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid (CID 91976642) is 2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid?
The canonical SMILES for 2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid is CC(N)(COc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid?
The InChIKey is UKKZVSSXBXYGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-10(11,9(13)14)6-15-8-4-2-7(12)3-5-8/h2-5,12H,6,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid?
2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid is sourced from PubChem (CID 91976642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).