3-(3-hydroxy-1,2-dihydroindol-3-yl)propanoic acid

C11H13NO3 — CID 119092473

IUPAC3-(3-hydroxy-1,2-dihydroindol-3-yl)propanoic acid
SMILESO=C(O)CCC1(O)CNc2ccccc21
InChIInChI=1S/C11H13NO3/c13-10(14)5-6-11(15)7-12-9-4-2-1-3-8(9)11/h1-4,12,15H,5-7H2,(H,13,14)
InChIKeyOPQHICDVVAQXML-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.16
Rot. Bonds3

About 3-(3-hydroxy-1,2-dihydroindol-3-yl)propanoic acid

3-(3-hydroxy-1,2-dihydroindol-3-yl)propanoic acid (PubChem CID 119092473) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(3-hydroxy-1,2-dihydroindol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-hydroxy-1,2-dihydroindol-3-yl)propanoic acid
PubChem CID119092473
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3-(3-hydroxy-1,2-dihydroindol-3-yl)propanoic acid
SMILESO=C(O)CCC1(O)CNc2ccccc21
InChIInChI=1S/C11H13NO3/c13-10(14)5-6-11(15)7-12-9-4-2-1-3-8(9)11/h1-4,12,15H,5-7H2,(H,13,14)
InChIKeyOPQHICDVVAQXML-UHFFFAOYSA-N
XLogP1.16
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,3-difluoroprop-2-enyl)-1,2-dihydroindol-3-ol
CID 175334422
2-(3-hydroxy-1,2-dihydropyrrolo[2,3-b]pyridin-3-yl)acetic acid
CID 67427153
4-propyl-2,3-dihydro-1H-quinolin-4-ol
CID 54517448
3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid
CID 117114834
(2S)-2-amino-3-[(3S)-3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid
CID 58171326
2-amino-3-[3-(2-hydroxyethyl)-1,2-dihydroindol-3-yl]propanoic acid
CID 67062782
5'-oxo-N-phenylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
CID 141300537
2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid
CID 134861638
potassium (3-hydroxy-1,2-dihydroindol-3-yl) sulfate
CID 87699638
(1R)-1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid
CID 3246065
3-(1-phenylcyclobutyl)propanoic acid
CID 91807231
3-(2-phenyl-1,3-dithiolan-2-yl)propanoic acid
CID 54309792

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-1,2-dihydroindol-3-yl)propanoic acid?
The IUPAC name of 3-(3-hydroxy-1,2-dihydroindol-3-yl)propanoic acid (CID 119092473) is 3-(3-hydroxy-1,2-dihydroindol-3-yl)propanoic acid.
What is the SMILES notation for 3-(3-hydroxy-1,2-dihydroindol-3-yl)propanoic acid?
The canonical SMILES for 3-(3-hydroxy-1,2-dihydroindol-3-yl)propanoic acid is O=C(O)CCC1(O)CNc2ccccc21.
What is the InChIKey of 3-(3-hydroxy-1,2-dihydroindol-3-yl)propanoic acid?
The InChIKey is OPQHICDVVAQXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-10(14)5-6-11(15)7-12-9-4-2-1-3-8(9)11/h1-4,12,15H,5-7H2,(H,13,14).
What are the key properties of 3-(3-hydroxy-1,2-dihydroindol-3-yl)propanoic acid?
3-(3-hydroxy-1,2-dihydroindol-3-yl)propanoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-1,2-dihydroindol-3-yl)propanoic acid is sourced from PubChem (CID 119092473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).