2-(6-methyl-1-propan-2-ylindol-3-yl)propanoic acid

C15H19NO2 — CID 117122158

IUPAC2-(6-methyl-1-propan-2-ylindol-3-yl)propanoic acid
SMILESCc1ccc2c(C(C)C(=O)O)cn(C(C)C)c2c1
InChIInChI=1S/C15H19NO2/c1-9(2)16-8-13(11(4)15(17)18)12-6-5-10(3)7-14(12)16/h5-9,11H,1-4H3,(H,17,18)
InChIKeyYVUNASZCJYMBRO-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.72
Rot. Bonds3

About 2-(6-methyl-1-propan-2-ylindol-3-yl)propanoic acid

2-(6-methyl-1-propan-2-ylindol-3-yl)propanoic acid (PubChem CID 117122158) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(6-methyl-1-propan-2-ylindol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-methyl-1-propan-2-ylindol-3-yl)propanoic acid
PubChem CID117122158
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(6-methyl-1-propan-2-ylindol-3-yl)propanoic acid
SMILESCc1ccc2c(C(C)C(=O)O)cn(C(C)C)c2c1
InChIInChI=1S/C15H19NO2/c1-9(2)16-8-13(11(4)15(17)18)12-6-5-10(3)7-14(12)16/h5-9,11H,1-4H3,(H,17,18)
InChIKeyYVUNASZCJYMBRO-UHFFFAOYSA-N
XLogP3.72
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid
CID 117121168
2-(7-methyl-1-propan-2-ylindol-3-yl)propanoic acid
CID 117197460
ethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate
CID 143904109
N-methyl-1-(6-methyl-1-propan-2-ylindol-3-yl)propan-2-amine
CID 117196206
6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
CID 117185718
2-(6-bromo-1-ethylindol-3-yl)propanoic acid
CID 117122253
2-(2-ethenyl-4-methylphenyl)propanoic acid
CID 54325809
2-(5-chloro-1-methylindol-3-yl)propanoic acid
CID 18175124
2-(1,6-dimethylbenzimidazol-2-yl)propanoic acid
CID 83849281
2-(2,6-dimethylindazol-3-yl)propanoic acid
CID 84724269
dipotassium;2-(2-hydroxy-4-methylphenyl)propanoic acid;sulfate
CID 70514513
2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid
CID 117122339

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-propan-2-ylindol-3-yl)propanoic acid?
The IUPAC name of 2-(6-methyl-1-propan-2-ylindol-3-yl)propanoic acid (CID 117122158) is 2-(6-methyl-1-propan-2-ylindol-3-yl)propanoic acid.
What is the SMILES notation for 2-(6-methyl-1-propan-2-ylindol-3-yl)propanoic acid?
The canonical SMILES for 2-(6-methyl-1-propan-2-ylindol-3-yl)propanoic acid is Cc1ccc2c(C(C)C(=O)O)cn(C(C)C)c2c1.
What is the InChIKey of 2-(6-methyl-1-propan-2-ylindol-3-yl)propanoic acid?
The InChIKey is YVUNASZCJYMBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9(2)16-8-13(11(4)15(17)18)12-6-5-10(3)7-14(12)16/h5-9,11H,1-4H3,(H,17,18).
What are the key properties of 2-(6-methyl-1-propan-2-ylindol-3-yl)propanoic acid?
2-(6-methyl-1-propan-2-ylindol-3-yl)propanoic acid has a molecular weight of 245.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-propan-2-ylindol-3-yl)propanoic acid is sourced from PubChem (CID 117122158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).