3-(1H-indol-2-yl)propanoic acid

C11H11NO2 — CID 13154044

IUPAC3-(1H-indol-2-yl)propanoic acid
SMILESO=C(O)CCc1cc2ccccc2[nH]1
InChIInChI=1S/C11H11NO2/c13-11(14)6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7,12H,5-6H2,(H,13,14)
InChIKeyHLSMPONBWJBOKA-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.19
Rot. Bonds3

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

3-(1H-indol-2-yl)propanoic acid (PubChem CID 13154044) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(1H-indol-2-yl)propanoic acid
PubChem CID13154044
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-(1H-indol-2-yl)propanoic acid
SMILESO=C(O)CCc1cc2ccccc2[nH]1
InChIInChI=1S/C11H11NO2/c13-11(14)6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7,12H,5-6H2,(H,13,14)
InChIKeyHLSMPONBWJBOKA-UHFFFAOYSA-N
XLogP2.19
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)propanoic acid?
The IUPAC name of 3-(1H-indol-2-yl)propanoic acid (CID 13154044) is 3-(1H-indol-2-yl)propanoic acid.
What is the SMILES notation for 3-(1H-indol-2-yl)propanoic acid?
The canonical SMILES for 3-(1H-indol-2-yl)propanoic acid is O=C(O)CCc1cc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-indol-2-yl)propanoic acid?
The InChIKey is HLSMPONBWJBOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-11(14)6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7,12H,5-6H2,(H,13,14).
What are the key properties of 3-(1H-indol-2-yl)propanoic acid?
3-(1H-indol-2-yl)propanoic acid has a molecular weight of 189.21 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)propanoic acid is sourced from PubChem (CID 13154044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).