3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine

C12H19NO4 — CID 173177710

IUPAC3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine
SMILESCNC.COC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H12O4.C2H7N/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7;1-3-2/h2-5,9,11H,6H2,1H3,(H,12,13);3H,1-2H3
InChIKeyWNYAADYDOREETB-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.87
Rot. Bonds4

About 3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine

3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine (PubChem CID 173177710) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine
PubChem CID173177710
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine
SMILESCNC.COC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H12O4.C2H7N/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7;1-3-2/h2-5,9,11H,6H2,1H3,(H,12,13);3H,1-2H3
InChIKeyWNYAADYDOREETB-UHFFFAOYSA-N
XLogP0.87
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid
CID 173177553
cesium 3-(4-hydroxyphenyl)-2-methoxypropanoate
CID 87864790
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
(2S)-3-(4-aminophenyl)-2-methoxypropanoic acid
CID 67008033
3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-methoxypropanoic acid
CID 106108909
(2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride
CID 56845306
2-methoxy-3-[4-(propanoylamino)phenyl]propanoic acid
CID 155057390
(2S)-3-[4-(carboxymethoxy)phenyl]-2-methoxypropanoic acid
CID 141080172
3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid
CID 18443662
(2S)-2-methoxy-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid
CID 141062469
(2S)-3-[4-(2-hydroxyethoxy)phenyl]-2-methoxypropanoic acid
CID 69421095
strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 173177558

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine?
The IUPAC name of 3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine (CID 173177710) is 3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine is CNC.COC(Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine?
The InChIKey is WNYAADYDOREETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4.C2H7N/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7;1-3-2/h2-5,9,11H,6H2,1H3,(H,12,13);3H,1-2H3.
What are the key properties of 3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine?
3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine has a molecular weight of 241.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine is sourced from PubChem (CID 173177710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).