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

C10H13NO3 — CID 3125

IUPAC2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid
SMILESCC(N)(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)
InChIKeyNHTGHBARYWONDQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.74
Rot. Bonds3

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

2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid (PubChem CID 3125) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid
PubChem CID3125
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid
SMILESCC(N)(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)
InChIKeyNHTGHBARYWONDQ-UHFFFAOYSA-N
XLogP0.74
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid (CID 3125) is 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid is CC(N)(Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid?
The InChIKey is NHTGHBARYWONDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid?
2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 3125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).