2-amino-3-[2-(2-hydroxyethyl)phenoxy]propanoic acid

C11H15NO4 — CID 107711556

IUPAC2-amino-3-[2-(2-hydroxyethyl)phenoxy]propanoic acid
SMILESNC(COc1ccccc1CCO)C(=O)O
InChIInChI=1S/C11H15NO4/c12-9(11(14)15)7-16-10-4-2-1-3-8(10)5-6-13/h1-4,9,13H,5-7,12H2,(H,14,15)
InChIKeyIJBWTBKXAFHRSU-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.01
Rot. Bonds6

About 2-amino-3-[2-(2-hydroxyethyl)phenoxy]propanoic acid

2-amino-3-[2-(2-hydroxyethyl)phenoxy]propanoic acid (PubChem CID 107711556) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-amino-3-[2-(2-hydroxyethyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(2-hydroxyethyl)phenoxy]propanoic acid
PubChem CID107711556
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-amino-3-[2-(2-hydroxyethyl)phenoxy]propanoic acid
SMILESNC(COc1ccccc1CCO)C(=O)O
InChIInChI=1S/C11H15NO4/c12-9(11(14)15)7-16-10-4-2-1-3-8(10)5-6-13/h1-4,9,13H,5-7,12H2,(H,14,15)
InChIKeyIJBWTBKXAFHRSU-UHFFFAOYSA-N
XLogP0.01
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-carbamoylphenoxy)propanoic acid
CID 65441784
2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol
CID 107713014
2-[2-(2-methoxypropoxy)phenyl]ethanol
CID 107713250
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
2-[2-(2,2-diethoxyethoxy)phenyl]ethanol
CID 58168566
2-[2-(3-aminopropoxy)phenyl]ethanol
CID 107712249
3,3,3-trifluoro-2-[[2-(2-hydroxyethyl)phenoxy]methyl]propanethioamide
CID 107712519
2-[2-(3-phenoxypropoxy)phenyl]ethanol
CID 107258184
3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 82161462
3-[2-(2-hydroxyethyl)phenoxy]-2-(methylamino)propanenitrile
CID 107713929
2-[2-[3-(ethylamino)-2-methylpropoxy]phenyl]ethanol
CID 107713005
(3S)-3-[2-(2-hydroxyethyl)phenoxy]butanoic acid
CID 107711645

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(2-hydroxyethyl)phenoxy]propanoic acid?
The IUPAC name of 2-amino-3-[2-(2-hydroxyethyl)phenoxy]propanoic acid (CID 107711556) is 2-amino-3-[2-(2-hydroxyethyl)phenoxy]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-(2-hydroxyethyl)phenoxy]propanoic acid?
The canonical SMILES for 2-amino-3-[2-(2-hydroxyethyl)phenoxy]propanoic acid is NC(COc1ccccc1CCO)C(=O)O.
What is the InChIKey of 2-amino-3-[2-(2-hydroxyethyl)phenoxy]propanoic acid?
The InChIKey is IJBWTBKXAFHRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c12-9(11(14)15)7-16-10-4-2-1-3-8(10)5-6-13/h1-4,9,13H,5-7,12H2,(H,14,15).
What are the key properties of 2-amino-3-[2-(2-hydroxyethyl)phenoxy]propanoic acid?
2-amino-3-[2-(2-hydroxyethyl)phenoxy]propanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(2-hydroxyethyl)phenoxy]propanoic acid is sourced from PubChem (CID 107711556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).