(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid

C11H14O5 — CID 14163336

IUPAC(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
SMILESCOc1ccc(C[C@@H](O)C(=O)O)cc1OC
InChIInChI=1S/C11H14O5/c1-15-9-4-3-7(6-10(9)16-2)5-8(12)11(13)14/h3-4,6,8,12H,5H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyQWOGOAJYTDRDFT-MRVPVSSYSA-N
MW226.23 g/mol
LogP0.69
Rot. Bonds5

About (2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid

(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid (PubChem CID 14163336) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is (2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
PubChem CID14163336
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
SMILESCOc1ccc(C[C@@H](O)C(=O)O)cc1OC
InChIInChI=1S/C11H14O5/c1-15-9-4-3-7(6-10(9)16-2)5-8(12)11(13)14/h3-4,6,8,12H,5H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyQWOGOAJYTDRDFT-MRVPVSSYSA-N
XLogP0.69
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 130440860
4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 11276143
(2S,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 58000802
(2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 10693323
(2S)-2-bromo-3-(3,4-dimethoxyphenyl)propanoic acid
CID 11077082
2-chloro-3-(3,4-dimethoxyphenyl)propanoic acid
CID 83969809
3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 66167353
(2R)-2-cyano-3-(3,4-dimethoxyphenyl)propanoic acid
CID 27282038
3-[(3,4-dimethoxyphenyl)methyl]pentane-2,4-dione
CID 137479905
5-[2-(3,4-dimethoxyphenyl)-1-hydroxyethyl]furan-2-carboxylic acid
CID 106947420
2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
(2S)-2-azido-3-(3,4-dimethoxyphenyl)propanoic acid
CID 170206391

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid?
The IUPAC name of (2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid (CID 14163336) is (2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid.
What is the SMILES notation for (2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid?
The canonical SMILES for (2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid is COc1ccc(C[C@@H](O)C(=O)O)cc1OC.
What is the InChIKey of (2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid?
The InChIKey is QWOGOAJYTDRDFT-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14O5/c1-15-9-4-3-7(6-10(9)16-2)5-8(12)11(13)14/h3-4,6,8,12H,5H2,1-2H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid?
(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid is sourced from PubChem (CID 14163336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).