2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid

C11H11NO3 — CID 131561654

IUPAC2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid
SMILESCc1ccc2c(C(O)C(=O)O)c[nH]c2c1
InChIInChI=1S/C11H11NO3/c1-6-2-3-7-8(10(13)11(14)15)5-12-9(7)4-6/h2-5,10,12-13H,1H3,(H,14,15)
InChIKeySSJNZENSRKWROX-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.59
Rot. Bonds2

About 2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid

2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid (PubChem CID 131561654) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid
PubChem CID131561654
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid
SMILESCc1ccc2c(C(O)C(=O)O)c[nH]c2c1
InChIInChI=1S/C11H11NO3/c1-6-2-3-7-8(10(13)11(14)15)5-12-9(7)4-6/h2-5,10,12-13H,1H3,(H,14,15)
InChIKeySSJNZENSRKWROX-UHFFFAOYSA-N
XLogP1.59
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid
CID 115073431
(1R)-1-(6-methyl-1H-indol-3-yl)propan-1-ol
CID 82758344
(1S)-1-(6-methyl-1H-indol-3-yl)propan-1-ol
CID 82758444
(1S)-1-(6-methyl-1H-indol-3-yl)ethanamine
CID 82759015
(3R)-3-(6-methyl-1H-indol-3-yl)-1-phenylbutan-1-one
CID 71519294
2-(5-bromo-1H-indol-3-yl)-2-hydroxyacetic acid
CID 115073394
(2S)-2-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 20841984
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate
CID 115073267
2-chloro-1-(6-methyl-1H-indol-3-yl)propan-1-one
CID 43163342
cyclopropylmethyl 3-amino-2-(6-methyl-1H-indol-3-yl)-3-oxopropanoate
CID 67394250
4-(2,4-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-4-oxobutanoic acid
CID 147786619
2-chloro-1-(6-methyl-1H-indol-3-yl)-2-phenylethanone
CID 90302343

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid (CID 131561654) is 2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid is Cc1ccc2c(C(O)C(=O)O)c[nH]c2c1.
What is the InChIKey of 2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid?
The InChIKey is SSJNZENSRKWROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-6-2-3-7-8(10(13)11(14)15)5-12-9(7)4-6/h2-5,10,12-13H,1H3,(H,14,15).
What are the key properties of 2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid?
2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid has a molecular weight of 205.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 131561654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).