2-(2,4-dimethyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid

C15H19NO3 — CID 115072908

IUPAC2-(2,4-dimethyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid
SMILESCc1cccc2c1c(C(O)C(=O)O)c(C)n2C(C)C
InChIInChI=1S/C15H19NO3/c1-8(2)16-10(4)13(14(17)15(18)19)12-9(3)6-5-7-11(12)16/h5-8,14,17H,1-4H3,(H,18,19)
InChIKeyACGRJRWYHRPMBC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.96
Rot. Bonds3

About 2-(2,4-dimethyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid

2-(2,4-dimethyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid (PubChem CID 115072908) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,4-dimethyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid
PubChem CID115072908
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(2,4-dimethyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid
SMILESCc1cccc2c1c(C(O)C(=O)O)c(C)n2C(C)C
InChIInChI=1S/C15H19NO3/c1-8(2)16-10(4)13(14(17)15(18)19)12-9(3)6-5-7-11(12)16/h5-8,14,17H,1-4H3,(H,18,19)
InChIKeyACGRJRWYHRPMBC-UHFFFAOYSA-N
XLogP2.96
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid
CID 115072918
2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid
CID 115072913
2-(5-fluoro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid
CID 115072997
2-hydroxy-2-(7-methoxy-2-methyl-1-propan-2-ylindol-3-yl)acetic acid
CID 115073168
2-amino-2-(1,2,4-trimethylindol-3-yl)acetic acid
CID 115072838
2-(2,6-dihydroxyphenyl)-2-hydroxyacetic acid
CID 117279696
3-[2-[carboxy(hydroxy)methyl]-3-methylphenyl]propanoic acid
CID 118836363
acetic acid;2-hydroxy-2-phenylacetic acid
CID 67499056
4-methyl-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
CID 154311145
2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid
CID 130967567
3-(4-methyl-1-propan-2-ylindol-2-yl)propanoic acid
CID 117120379
3-bromo-1,4-dimethylindole-2-carboxylic acid
CID 115049841

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,4-dimethyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid (CID 115072908) is 2-(2,4-dimethyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,4-dimethyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,4-dimethyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid is Cc1cccc2c1c(C(O)C(=O)O)c(C)n2C(C)C.
What is the InChIKey of 2-(2,4-dimethyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid?
The InChIKey is ACGRJRWYHRPMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-8(2)16-10(4)13(14(17)15(18)19)12-9(3)6-5-7-11(12)16/h5-8,14,17H,1-4H3,(H,18,19).
What are the key properties of 2-(2,4-dimethyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid?
2-(2,4-dimethyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 115072908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).