2-[3-(dimethylamino)phenoxy]propanoic acid

C11H15NO3 — CID 22683634

IUPAC2-[3-(dimethylamino)phenoxy]propanoic acid
SMILESCC(Oc1cccc(N(C)C)c1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-8(11(13)14)15-10-6-4-5-9(7-10)12(2)3/h4-8H,1-3H3,(H,13,14)
InChIKeyHTFWKEUSMVWFMZ-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.60
Rot. Bonds4

About 2-[3-(dimethylamino)phenoxy]propanoic acid

2-[3-(dimethylamino)phenoxy]propanoic acid (PubChem CID 22683634) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-[3-(dimethylamino)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)phenoxy]propanoic acid
PubChem CID22683634
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-[3-(dimethylamino)phenoxy]propanoic acid
SMILESCC(Oc1cccc(N(C)C)c1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-8(11(13)14)15-10-6-4-5-9(7-10)12(2)3/h4-8H,1-3H3,(H,13,14)
InChIKeyHTFWKEUSMVWFMZ-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxypropanoic acid;hydrofluoride
CID 161153787
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
(2R)-2-(3-formylphenoxy)propanoic acid
CID 907308
(2S)-2-(3-ethylphenoxy)propanoic acid
CID 10845483
[3-(dimethylamino)phenyl] carbamate
CID 23622089
4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid
CID 64708993
3-amino-4-[3-(dimethylamino)phenoxy]butanoic acid
CID 112511325
4-[2-[3-(dimethylamino)phenoxy]ethoxy]benzoic acid
CID 20985248
2-[3-(dimethylamino)phenoxy]-1-phenylethanone
CID 60773053
2-[3-[[1,3-benzoxazol-2-yl-[3-[3-(dimethylamino)phenoxy]propyl]amino]methyl]phenoxy]propanoic acid
CID 21054993
2-[3-(3-fluorophenyl)phenoxy]propanoic acid
CID 82044897

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)phenoxy]propanoic acid?
The IUPAC name of 2-[3-(dimethylamino)phenoxy]propanoic acid (CID 22683634) is 2-[3-(dimethylamino)phenoxy]propanoic acid.
What is the SMILES notation for 2-[3-(dimethylamino)phenoxy]propanoic acid?
The canonical SMILES for 2-[3-(dimethylamino)phenoxy]propanoic acid is CC(Oc1cccc(N(C)C)c1)C(=O)O.
What is the InChIKey of 2-[3-(dimethylamino)phenoxy]propanoic acid?
The InChIKey is HTFWKEUSMVWFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(11(13)14)15-10-6-4-5-9(7-10)12(2)3/h4-8H,1-3H3,(H,13,14).
What are the key properties of 2-[3-(dimethylamino)phenoxy]propanoic acid?
2-[3-(dimethylamino)phenoxy]propanoic acid has a molecular weight of 209.24 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)phenoxy]propanoic acid is sourced from PubChem (CID 22683634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).