2-amino-2-[3-(2-hydroxypropan-2-yl)phenyl]acetic acid

C11H15NO3 — CID 117115033

IUPAC2-amino-2-[3-(2-hydroxypropan-2-yl)phenyl]acetic acid
SMILESCC(C)(O)c1cccc(C(N)C(=O)O)c1
InChIInChI=1S/C11H15NO3/c1-11(2,15)8-5-3-4-7(6-8)9(12)10(13)14/h3-6,9,15H,12H2,1-2H3,(H,13,14)
InChIKeyMWPSXNDBYYTSTD-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.00
Rot. Bonds3

About 2-amino-2-[3-(2-hydroxypropan-2-yl)phenyl]acetic acid

2-amino-2-[3-(2-hydroxypropan-2-yl)phenyl]acetic acid (PubChem CID 117115033) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-2-[3-(2-hydroxypropan-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[3-(2-hydroxypropan-2-yl)phenyl]acetic acid
PubChem CID117115033
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-amino-2-[3-(2-hydroxypropan-2-yl)phenyl]acetic acid
SMILESCC(C)(O)c1cccc(C(N)C(=O)O)c1
InChIInChI=1S/C11H15NO3/c1-11(2,15)8-5-3-4-7(6-8)9(12)10(13)14/h3-6,9,15H,12H2,1-2H3,(H,13,14)
InChIKeyMWPSXNDBYYTSTD-UHFFFAOYSA-N
XLogP1.00
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(2-hydroxypropan-2-yl)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[3-(2-hydroxypropan-2-yl)phenyl]acetic acid (CID 117115033) is 2-amino-2-[3-(2-hydroxypropan-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[3-(2-hydroxypropan-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[3-(2-hydroxypropan-2-yl)phenyl]acetic acid is CC(C)(O)c1cccc(C(N)C(=O)O)c1.
What is the InChIKey of 2-amino-2-[3-(2-hydroxypropan-2-yl)phenyl]acetic acid?
The InChIKey is MWPSXNDBYYTSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2,15)8-5-3-4-7(6-8)9(12)10(13)14/h3-6,9,15H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-2-[3-(2-hydroxypropan-2-yl)phenyl]acetic acid?
2-amino-2-[3-(2-hydroxypropan-2-yl)phenyl]acetic acid has a molecular weight of 209.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(2-hydroxypropan-2-yl)phenyl]acetic acid is sourced from PubChem (CID 117115033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).