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

C11H11NO3 — CID 589482

IUPAC3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
SMILESO=C(O)CCC1C(=O)Nc2ccccc21
InChIInChI=1S/C11H11NO3/c13-10(14)6-5-8-7-3-1-2-4-9(7)12-11(8)15/h1-4,8H,5-6H2,(H,12,15)(H,13,14)
InChIKeyBFQGSVVUAHHSFU-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.59
Rot. Bonds3

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

3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid (PubChem CID 589482) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
PubChem CID589482
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
SMILESO=C(O)CCC1C(=O)Nc2ccccc21
InChIInChI=1S/C11H11NO3/c13-10(14)6-5-8-7-3-1-2-4-9(7)12-11(8)15/h1-4,8H,5-6H2,(H,12,15)(H,13,14)
InChIKeyBFQGSVVUAHHSFU-UHFFFAOYSA-N
XLogP1.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Oxindole-3-acetic acid
CID 3080590
3-Methyloxindole
CID 150923
alpha-Cyano-2,3-dihydro-2-oxo-1H-indole-3-acetic acid
CID 41166
1,2,2-Trimethyl-3-((phenylamino)carbonyl)cyclopentanecarboxylic acid
CID 98319
2'-Methylglutaranilic acid
CID 768877
3-(propan-2-yl)-2,3-dihydro-1H-indol-2-one
CID 4461489
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
2-[1-[2-Oxo-2-(2-propan-2-ylanilino)ethyl]cyclopentyl]acetic acid
CID 2348557
ethyl (1S,2S)-2'-oxospiro[cyclopropane-2,3'-indoline]-1-carboxylate
CID 15956407
beta-3-Oxindolylalanine
CID 13393248

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid?
The IUPAC name of 3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid (CID 589482) is 3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid.
What is the SMILES notation for 3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid?
The canonical SMILES for 3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid is O=C(O)CCC1C(=O)Nc2ccccc21.
What is the InChIKey of 3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid?
The InChIKey is BFQGSVVUAHHSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10(14)6-5-8-7-3-1-2-4-9(7)12-11(8)15/h1-4,8H,5-6H2,(H,12,15)(H,13,14).
What are the key properties of 3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid?
3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid has a molecular weight of 205.21 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid is sourced from PubChem (CID 589482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).