4-(7H-indol-3-yl)butanoic acid

C12H13NO2 — CID 23586138

IUPAC4-(7H-indol-3-yl)butanoic acid
SMILESO=C(O)CCCC1=CN=C2CC=CC=C12
InChIInChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5,8H,3-4,6-7H2,(H,14,15)
InChIKeyIOKFYTLPZFPVQD-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.47
Rot. Bonds4

About 4-(7H-indol-3-yl)butanoic acid

4-(7H-indol-3-yl)butanoic acid (PubChem CID 23586138) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(7H-indol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(7H-indol-3-yl)butanoic acid
PubChem CID23586138
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-(7H-indol-3-yl)butanoic acid
SMILESO=C(O)CCCC1=CN=C2CC=CC=C12
InChIInChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5,8H,3-4,6-7H2,(H,14,15)
InChIKeyIOKFYTLPZFPVQD-UHFFFAOYSA-N
XLogP2.47
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(7H-indol-3-yl)butanoic acid?
The IUPAC name of 4-(7H-indol-3-yl)butanoic acid (CID 23586138) is 4-(7H-indol-3-yl)butanoic acid.
What is the SMILES notation for 4-(7H-indol-3-yl)butanoic acid?
The canonical SMILES for 4-(7H-indol-3-yl)butanoic acid is O=C(O)CCCC1=CN=C2CC=CC=C12.
What is the InChIKey of 4-(7H-indol-3-yl)butanoic acid?
The InChIKey is IOKFYTLPZFPVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5,8H,3-4,6-7H2,(H,14,15).
What are the key properties of 4-(7H-indol-3-yl)butanoic acid?
4-(7H-indol-3-yl)butanoic acid has a molecular weight of 203.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7H-indol-3-yl)butanoic acid is sourced from PubChem (CID 23586138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).