2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid

C11H15NO4 — CID 170892009

IUPAC2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid
SMILESNC(CO)Cc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C11H15NO4/c12-9(6-13)5-8-1-3-10(4-2-8)16-7-11(14)15/h1-4,9,13H,5-7,12H2,(H,14,15)
InChIKeyXKALPBUOSXQGIM-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.01
Rot. Bonds6

About 2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid

2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid (PubChem CID 170892009) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid
PubChem CID170892009
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid
SMILESNC(CO)Cc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C11H15NO4/c12-9(6-13)5-8-1-3-10(4-2-8)16-7-11(14)15/h1-4,9,13H,5-7,12H2,(H,14,15)
InChIKeyXKALPBUOSXQGIM-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-[4-[(2S)-2,3-diamino-3-oxopropyl]phenoxy]acetic acid
CID 170184313
2-[4-(2-ethylbutyl)phenoxy]acetic acid
CID 70838941
(2S)-3-[4-(carboxymethoxy)phenyl]-2-methoxypropanoic acid
CID 141080172
2-[4-[(2S)-2-(methylamino)propyl]phenoxy]acetic acid
CID 10236117
2-[4-(phosphanylmethyl)phenoxy]acetic acid
CID 144578050
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
2-amino-3-[4-[(4-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 170892261
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid
CID 170185856
2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide
CID 54930931
2-[4-[[[2-[(4-chlorophenyl)methyl]-3-hydroxypropyl]amino]methyl]phenoxy]acetic acid
CID 154867066

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid (CID 170892009) is 2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid is NC(CO)Cc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid?
The InChIKey is XKALPBUOSXQGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c12-9(6-13)5-8-1-3-10(4-2-8)16-7-11(14)15/h1-4,9,13H,5-7,12H2,(H,14,15).
What are the key properties of 2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid?
2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic 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-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid is sourced from PubChem (CID 170892009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).