2-(2,3-dihydro-1H-indol-4-yl)propanoic acid

C11H13NO2 — CID 117119033

IUPAC2-(2,3-dihydro-1H-indol-4-yl)propanoic acid
SMILESCC(C(=O)O)c1cccc2c1CCN2
InChIInChI=1S/C11H13NO2/c1-7(11(13)14)8-3-2-4-10-9(8)5-6-12-10/h2-4,7,12H,5-6H2,1H3,(H,13,14)
InChIKeyHFRHSBQLKUUOOZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.84
Rot. Bonds2

About 2-(2,3-dihydro-1H-indol-4-yl)propanoic acid

2-(2,3-dihydro-1H-indol-4-yl)propanoic acid (PubChem CID 117119033) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-4-yl)propanoic acid
PubChem CID117119033
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(2,3-dihydro-1H-indol-4-yl)propanoic acid
SMILESCC(C(=O)O)c1cccc2c1CCN2
InChIInChI=1S/C11H13NO2/c1-7(11(13)14)8-3-2-4-10-9(8)5-6-12-10/h2-4,7,12H,5-6H2,1H3,(H,13,14)
InChIKeyHFRHSBQLKUUOOZ-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-4-yl)propanoic acid?
The IUPAC name of 2-(2,3-dihydro-1H-indol-4-yl)propanoic acid (CID 117119033) is 2-(2,3-dihydro-1H-indol-4-yl)propanoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-4-yl)propanoic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-4-yl)propanoic acid is CC(C(=O)O)c1cccc2c1CCN2.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-4-yl)propanoic acid?
The InChIKey is HFRHSBQLKUUOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7(11(13)14)8-3-2-4-10-9(8)5-6-12-10/h2-4,7,12H,5-6H2,1H3,(H,13,14).
What are the key properties of 2-(2,3-dihydro-1H-indol-4-yl)propanoic acid?
2-(2,3-dihydro-1H-indol-4-yl)propanoic acid has a molecular weight of 191.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-4-yl)propanoic acid is sourced from PubChem (CID 117119033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).