2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-hydroxyacetic acid

C12H17NO3 — CID 117108576

IUPAC2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-hydroxyacetic acid
SMILESCc1cc(C(O)C(=O)O)c(N(C)C)cc1C
InChIInChI=1S/C12H17NO3/c1-7-5-9(11(14)12(15)16)10(13(3)4)6-8(7)2/h5-6,11,14H,1-4H3,(H,15,16)
InChIKeyCBKWLTRGLXPYSW-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.49
Rot. Bonds3

About 2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-hydroxyacetic acid

2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-hydroxyacetic acid (PubChem CID 117108576) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-hydroxyacetic acid
PubChem CID117108576
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-hydroxyacetic acid
SMILESCc1cc(C(O)C(=O)O)c(N(C)C)cc1C
InChIInChI=1S/C12H17NO3/c1-7-5-9(11(14)12(15)16)10(13(3)4)6-8(7)2/h5-6,11,14H,1-4H3,(H,15,16)
InChIKeyCBKWLTRGLXPYSW-UHFFFAOYSA-N
XLogP1.49
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid
CID 125129481
2-(4,5-dimethyl-2-nitrophenyl)-2-hydroxyacetic acid
CID 118806557
(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131387020
2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid
CID 83403424
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid
CID 171003131
2-(N,2,4,5-tetramethylanilino)propanoic acid
CID 117041856
2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117447192
2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117289043
2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117406025
2-(5-chloro-2-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117308561
2-hydroxy-2-(5-methoxy-2,3-dimethylphenyl)acetic acid
CID 119014767

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-hydroxyacetic acid (CID 117108576) is 2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-hydroxyacetic acid is Cc1cc(C(O)C(=O)O)c(N(C)C)cc1C.
What is the InChIKey of 2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-hydroxyacetic acid?
The InChIKey is CBKWLTRGLXPYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-7-5-9(11(14)12(15)16)10(13(3)4)6-8(7)2/h5-6,11,14H,1-4H3,(H,15,16).
What are the key properties of 2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-hydroxyacetic acid?
2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-hydroxyacetic acid has a molecular weight of 223.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117108576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).