2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)propanoic acid

C13H15NO3 — CID 84795947

IUPAC2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)propanoic acid
SMILESCc1[nH]c2ccc(O)c(C(C)C(=O)O)c2c1C
InChIInChI=1S/C13H15NO3/c1-6-8(3)14-9-4-5-10(15)12(11(6)9)7(2)13(16)17/h4-5,7,14-15H,1-3H3,(H,16,17)
InChIKeyYVQMZPKTIDSMGV-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.68
Rot. Bonds2

About 2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)propanoic acid

2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)propanoic acid (PubChem CID 84795947) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)propanoic acid
PubChem CID84795947
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)propanoic acid
SMILESCc1[nH]c2ccc(O)c(C(C)C(=O)O)c2c1C
InChIInChI=1S/C13H15NO3/c1-6-8(3)14-9-4-5-10(15)12(11(6)9)7(2)13(16)17/h4-5,7,14-15H,1-3H3,(H,16,17)
InChIKeyYVQMZPKTIDSMGV-UHFFFAOYSA-N
XLogP2.68
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(5,6-difluoro-4-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid
CID 176610245
benzene;2,3,4,5-tetramethyl-1H-indole
CID 174464516
2-(2-chloro-6-hydroxyphenyl)propanoic acid
CID 84733802
2-(6-fluoro-2,3-dihydroxyphenyl)propanoic acid
CID 117289034
3-(4-hydroxy-2,3-dimethyl-1H-indol-5-yl)-3-methylbutanoic acid
CID 117407542
2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)ethanesulfonyl chloride
CID 84814114
2-(2,7-dihydroxynaphthalen-1-yl)propanoic acid
CID 117335936
2-(6-chloro-2,3-dihydroxyphenyl)propanoic acid
CID 117308570
2-(2-chloro-4-hydroxy-3-methylphenyl)propanoic acid
CID 165347543
2-(3-ethoxycarbonyl-5-hydroxy-2-methyl-1-propan-2-ylindol-4-yl)propanoic acid
CID 54052596
2,3-dimethyl-1H-indole-4-carbohydrazide
CID 138755314
2-amino-2-(3-bromo-6-hydroxy-2-methylphenyl)acetic acid
CID 84710002

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)propanoic acid?
The IUPAC name of 2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)propanoic acid (CID 84795947) is 2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)propanoic acid.
What is the SMILES notation for 2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)propanoic acid?
The canonical SMILES for 2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)propanoic acid is Cc1[nH]c2ccc(O)c(C(C)C(=O)O)c2c1C.
What is the InChIKey of 2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)propanoic acid?
The InChIKey is YVQMZPKTIDSMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-6-8(3)14-9-4-5-10(15)12(11(6)9)7(2)13(16)17/h4-5,7,14-15H,1-3H3,(H,16,17).
What are the key properties of 2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)propanoic acid?
2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)propanoic acid has a molecular weight of 233.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2,3-dimethyl-1H-indol-4-yl)propanoic acid is sourced from PubChem (CID 84795947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).