3-[2-[carboxy(hydroxy)methyl]-4-hydroxyphenyl]propanoic acid

C11H12O6 — CID 118813803

IUPAC3-[2-[carboxy(hydroxy)methyl]-4-hydroxyphenyl]propanoic acid
SMILESO=C(O)CCc1ccc(O)cc1C(O)C(=O)O
InChIInChI=1S/C11H12O6/c12-7-3-1-6(2-4-9(13)14)8(5-7)10(15)11(16)17/h1,3,5,10,12,15H,2,4H2,(H,13,14)(H,16,17)
InChIKeyJWUKPAVYYIQSIO-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.53
Rot. Bonds5

About 3-[2-[carboxy(hydroxy)methyl]-4-hydroxyphenyl]propanoic acid

3-[2-[carboxy(hydroxy)methyl]-4-hydroxyphenyl]propanoic acid (PubChem CID 118813803) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is 3-[2-[carboxy(hydroxy)methyl]-4-hydroxyphenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[carboxy(hydroxy)methyl]-4-hydroxyphenyl]propanoic acid
PubChem CID118813803
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Name3-[2-[carboxy(hydroxy)methyl]-4-hydroxyphenyl]propanoic acid
SMILESO=C(O)CCc1ccc(O)cc1C(O)C(=O)O
InChIInChI=1S/C11H12O6/c12-7-3-1-6(2-4-9(13)14)8(5-7)10(15)11(16)17/h1,3,5,10,12,15H,2,4H2,(H,13,14)(H,16,17)
InChIKeyJWUKPAVYYIQSIO-UHFFFAOYSA-N
XLogP0.53
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[2-[carboxy(hydroxy)methyl]-4-hydroxyphenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[carboxy(hydroxy)methyl]-4-fluorophenyl]propanoic acid
CID 118841930
2-[2-(3-chloropropyl)-5-hydroxyphenyl]-2-hydroxyacetic acid
CID 118848081
3-[4-hydroxy-2-(trifluoromethyl)phenyl]propanoic acid
CID 84697357
3-[2-[carboxy(hydroxy)methyl]-5-methoxyphenyl]propanoic acid
CID 118813661
3-[4-[carboxy(hydroxy)methyl]-3-(difluoromethyl)phenyl]propanoic acid
CID 134656647
3-[2-(bromomethyl)-4-[carboxy(hydroxy)methyl]phenyl]propanoic acid
CID 134656260
3-[2-(bromomethyl)-3-[carboxy(hydroxy)methyl]phenyl]propanoic acid
CID 134656190
3-[3-[carboxy(hydroxy)methyl]-2-cyanophenyl]propanoic acid
CID 135740726
3-(2-formyl-5-hydroxyphenyl)propanoic acid
CID 117284284
3-(7-hydroxy-2-oxochromen-3-yl)propanoic acid
CID 18961636
2-[2-(3-bromopropyl)-5-fluorophenyl]-2-hydroxyacetic acid
CID 118819646
2-[5-bromo-2-(2-cyanoethyl)phenyl]-2-hydroxyacetic acid
CID 134656194

Frequently Asked Questions

What is the IUPAC name of 3-[2-[carboxy(hydroxy)methyl]-4-hydroxyphenyl]propanoic acid?
The IUPAC name of 3-[2-[carboxy(hydroxy)methyl]-4-hydroxyphenyl]propanoic acid (CID 118813803) is 3-[2-[carboxy(hydroxy)methyl]-4-hydroxyphenyl]propanoic acid.
What is the SMILES notation for 3-[2-[carboxy(hydroxy)methyl]-4-hydroxyphenyl]propanoic acid?
The canonical SMILES for 3-[2-[carboxy(hydroxy)methyl]-4-hydroxyphenyl]propanoic acid is O=C(O)CCc1ccc(O)cc1C(O)C(=O)O.
What is the InChIKey of 3-[2-[carboxy(hydroxy)methyl]-4-hydroxyphenyl]propanoic acid?
The InChIKey is JWUKPAVYYIQSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O6/c12-7-3-1-6(2-4-9(13)14)8(5-7)10(15)11(16)17/h1,3,5,10,12,15H,2,4H2,(H,13,14)(H,16,17).
What are the key properties of 3-[2-[carboxy(hydroxy)methyl]-4-hydroxyphenyl]propanoic acid?
3-[2-[carboxy(hydroxy)methyl]-4-hydroxyphenyl]propanoic acid has a molecular weight of 240.21 g/mol, XLogP of 0.53, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[carboxy(hydroxy)methyl]-4-hydroxyphenyl]propanoic acid is sourced from PubChem (CID 118813803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).