5-(2,2-dimethylpropyl)-7-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid

C17H21FN2O3 — CID 67227966

IUPAC5-(2,2-dimethylpropyl)-7-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid
SMILESCC(C)(C)Cc1cc(F)c2c(c1)C1(CNC(C(=O)O)C1)C(=O)N2
InChIInChI=1S/C17H21FN2O3/c1-16(2,3)6-9-4-10-13(11(18)5-9)20-15(23)17(10)7-12(14(21)22)19-8-17/h4-5,12,19H,6-8H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyWWLRQHUCUUMZHC-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.05
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-7-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid

5-(2,2-dimethylpropyl)-7-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid (PubChem CID 67227966) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-7-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-7-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid
PubChem CID67227966
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name5-(2,2-dimethylpropyl)-7-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid
SMILESCC(C)(C)Cc1cc(F)c2c(c1)C1(CNC(C(=O)O)C1)C(=O)N2
InChIInChI=1S/C17H21FN2O3/c1-16(2,3)6-9-4-10-13(11(18)5-9)20-15(23)17(10)7-12(14(21)22)19-8-17/h4-5,12,19H,6-8H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyWWLRQHUCUUMZHC-UHFFFAOYSA-N
XLogP2.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(2,2-dimethylpropyl)-7-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic 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 5-(2,2-dimethylpropyl)-7-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid?
The IUPAC name of 5-(2,2-dimethylpropyl)-7-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid (CID 67227966) is 5-(2,2-dimethylpropyl)-7-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-7-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid?
The canonical SMILES for 5-(2,2-dimethylpropyl)-7-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid is CC(C)(C)Cc1cc(F)c2c(c1)C1(CNC(C(=O)O)C1)C(=O)N2.
What is the InChIKey of 5-(2,2-dimethylpropyl)-7-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid?
The InChIKey is WWLRQHUCUUMZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-16(2,3)6-9-4-10-13(11(18)5-9)20-15(23)17(10)7-12(14(21)22)19-8-17/h4-5,12,19H,6-8H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 5-(2,2-dimethylpropyl)-7-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid?
5-(2,2-dimethylpropyl)-7-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid has a molecular weight of 320.36 g/mol, XLogP of 2.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-7-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid is sourced from PubChem (CID 67227966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).