3-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)propanoic acid

C17H17NO3 — CID 696645

IUPAC3-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)propanoic acid
SMILESO=C(O)CCn1c(-c2ccccc2)cc2c1CCCC2=O
InChIInChI=1S/C17H17NO3/c19-16-8-4-7-14-13(16)11-15(12-5-2-1-3-6-12)18(14)10-9-17(20)21/h1-3,5-6,11H,4,7-10H2,(H,20,21)
InChIKeyLTLLYNGKQGTCQY-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.15
Rot. Bonds4

About 3-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)propanoic acid

3-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)propanoic acid (PubChem CID 696645) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)propanoic acid
PubChem CID696645
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)propanoic acid
SMILESO=C(O)CCn1c(-c2ccccc2)cc2c1CCCC2=O
InChIInChI=1S/C17H17NO3/c19-16-8-4-7-14-13(16)11-15(12-5-2-1-3-6-12)18(14)10-9-17(20)21/h1-3,5-6,11H,4,7-10H2,(H,20,21)
InChIKeyLTLLYNGKQGTCQY-UHFFFAOYSA-N
XLogP3.15
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)propanoic acid?
The IUPAC name of 3-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)propanoic acid (CID 696645) is 3-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)propanoic acid?
The canonical SMILES for 3-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)propanoic acid is O=C(O)CCn1c(-c2ccccc2)cc2c1CCCC2=O.
What is the InChIKey of 3-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)propanoic acid?
The InChIKey is LTLLYNGKQGTCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-16-8-4-7-14-13(16)11-15(12-5-2-1-3-6-12)18(14)10-9-17(20)21/h1-3,5-6,11H,4,7-10H2,(H,20,21).
What are the key properties of 3-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)propanoic acid?
3-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)propanoic acid has a molecular weight of 283.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-2-phenyl-6,7-dihydro-5H-indol-1-yl)propanoic acid is sourced from PubChem (CID 696645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).