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

C11H13NO2 — CID 3864552

IUPAC3-(2,3-dihydro-1H-indol-3-yl)propanoic acid
SMILESO=C(O)CCC1CNc2ccccc21
InChIInChI=1S/C11H13NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,8,12H,5-7H2,(H,13,14)
InChIKeyRTQBHGZHDQGEOT-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.06
Rot. Bonds3

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

3-(2,3-dihydro-1H-indol-3-yl)propanoic acid (PubChem CID 3864552) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-3-yl)propanoic acid
PubChem CID3864552
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-(2,3-dihydro-1H-indol-3-yl)propanoic acid
SMILESO=C(O)CCC1CNc2ccccc21
InChIInChI=1S/C11H13NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,8,12H,5-7H2,(H,13,14)
InChIKeyRTQBHGZHDQGEOT-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Oxindole-3-acetic acid
CID 3080590
Indoline-2-carboxylic acid, (S)-
CID 2733920
Alminoprofen
CID 2097
alpha-Cyano-2,3-dihydro-2-oxo-1H-indole-3-acetic acid
CID 41166
3a,4,5,9b-Tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CID 3124342
Indoline-2-carboxylic acid, (R)-
CID 6928266
Indoline-2-carboxylic acid
CID 86074
3-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid
CID 5328539
3-(1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid
CID 5328540
4-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid
CID 5328543
1,2,3,3a,4,5-Hexahydropyrrolo[1,2-a]quinoline-4-carboxylic acid
CID 4968024
beta-3-Oxindolylalanine
CID 13393248

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-3-yl)propanoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-indol-3-yl)propanoic acid (CID 3864552) is 3-(2,3-dihydro-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-3-yl)propanoic acid is O=C(O)CCC1CNc2ccccc21.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-3-yl)propanoic acid?
The InChIKey is RTQBHGZHDQGEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,8,12H,5-7H2,(H,13,14).
What are the key properties of 3-(2,3-dihydro-1H-indol-3-yl)propanoic acid?
3-(2,3-dihydro-1H-indol-3-yl)propanoic acid has a molecular weight of 191.23 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 3864552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).