2-methyl-2-(7-propan-2-yl-1H-indol-3-yl)propanoic acid

C15H19NO2 — CID 76847664

IUPAC2-methyl-2-(7-propan-2-yl-1H-indol-3-yl)propanoic acid
SMILESCC(C)c1cccc2c(C(C)(C)C(=O)O)c[nH]c12
InChIInChI=1S/C15H19NO2/c1-9(2)10-6-5-7-11-12(8-16-13(10)11)15(3,4)14(17)18/h5-9,16H,1-4H3,(H,17,18)
InChIKeyCPDJTTAFRUQCQZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.65
Rot. Bonds3

About 2-methyl-2-(7-propan-2-yl-1H-indol-3-yl)propanoic acid

2-methyl-2-(7-propan-2-yl-1H-indol-3-yl)propanoic acid (PubChem CID 76847664) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-methyl-2-(7-propan-2-yl-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(7-propan-2-yl-1H-indol-3-yl)propanoic acid
PubChem CID76847664
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-methyl-2-(7-propan-2-yl-1H-indol-3-yl)propanoic acid
SMILESCC(C)c1cccc2c(C(C)(C)C(=O)O)c[nH]c12
InChIInChI=1S/C15H19NO2/c1-9(2)10-6-5-7-11-12(8-16-13(10)11)15(3,4)14(17)18/h5-9,16H,1-4H3,(H,17,18)
InChIKeyCPDJTTAFRUQCQZ-UHFFFAOYSA-N
XLogP3.65
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(7-propan-2-yl-1H-indol-3-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(7-propan-2-yl-1H-indol-3-yl)propanoic acid (CID 76847664) is 2-methyl-2-(7-propan-2-yl-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(7-propan-2-yl-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(7-propan-2-yl-1H-indol-3-yl)propanoic acid is CC(C)c1cccc2c(C(C)(C)C(=O)O)c[nH]c12.
What is the InChIKey of 2-methyl-2-(7-propan-2-yl-1H-indol-3-yl)propanoic acid?
The InChIKey is CPDJTTAFRUQCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9(2)10-6-5-7-11-12(8-16-13(10)11)15(3,4)14(17)18/h5-9,16H,1-4H3,(H,17,18).
What are the key properties of 2-methyl-2-(7-propan-2-yl-1H-indol-3-yl)propanoic acid?
2-methyl-2-(7-propan-2-yl-1H-indol-3-yl)propanoic acid has a molecular weight of 245.32 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(7-propan-2-yl-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 76847664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).