3-(7-ethyl-1-methylindol-3-yl)butanoic acid

C15H19NO2 — CID 82278699

IUPAC3-(7-ethyl-1-methylindol-3-yl)butanoic acid
SMILESCCc1cccc2c(C(C)CC(=O)O)cn(C)c12
InChIInChI=1S/C15H19NO2/c1-4-11-6-5-7-12-13(9-16(3)15(11)12)10(2)8-14(17)18/h5-7,9-10H,4,8H2,1-3H3,(H,17,18)
InChIKeyKBWMIKMPUOVTHA-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.32
Rot. Bonds4

About 3-(7-ethyl-1-methylindol-3-yl)butanoic acid

3-(7-ethyl-1-methylindol-3-yl)butanoic acid (PubChem CID 82278699) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(7-ethyl-1-methylindol-3-yl)butanoic acid.

Molecular Properties

Compound Name3-(7-ethyl-1-methylindol-3-yl)butanoic acid
PubChem CID82278699
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-(7-ethyl-1-methylindol-3-yl)butanoic acid
SMILESCCc1cccc2c(C(C)CC(=O)O)cn(C)c12
InChIInChI=1S/C15H19NO2/c1-4-11-6-5-7-12-13(9-16(3)15(11)12)10(2)8-14(17)18/h5-7,9-10H,4,8H2,1-3H3,(H,17,18)
InChIKeyKBWMIKMPUOVTHA-UHFFFAOYSA-N
XLogP3.32
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-1-methylindol-3-yl)butanoic acid?
The IUPAC name of 3-(7-ethyl-1-methylindol-3-yl)butanoic acid (CID 82278699) is 3-(7-ethyl-1-methylindol-3-yl)butanoic acid.
What is the SMILES notation for 3-(7-ethyl-1-methylindol-3-yl)butanoic acid?
The canonical SMILES for 3-(7-ethyl-1-methylindol-3-yl)butanoic acid is CCc1cccc2c(C(C)CC(=O)O)cn(C)c12.
What is the InChIKey of 3-(7-ethyl-1-methylindol-3-yl)butanoic acid?
The InChIKey is KBWMIKMPUOVTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-11-6-5-7-12-13(9-16(3)15(11)12)10(2)8-14(17)18/h5-7,9-10H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 3-(7-ethyl-1-methylindol-3-yl)butanoic acid?
3-(7-ethyl-1-methylindol-3-yl)butanoic acid has a molecular weight of 245.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethyl-1-methylindol-3-yl)butanoic acid is sourced from PubChem (CID 82278699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).