spiro[indole-3,4'-pyrrolidine]-2'-carboxylic acid

C12H12N2O2 — CID 90702501

IUPACspiro[indole-3,4'-pyrrolidine]-2'-carboxylic acid
SMILESO=C(O)C1CC2(C=Nc3ccccc32)CN1
InChIInChI=1S/C12H12N2O2/c15-11(16)10-5-12(7-14-10)6-13-9-4-2-1-3-8(9)12/h1-4,6,10,14H,5,7H2,(H,15,16)
InChIKeyFPONLMMQIJGRJM-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.09
Rot. Bonds1

About spiro[indole-3,4'-pyrrolidine]-2'-carboxylic acid

spiro[indole-3,4'-pyrrolidine]-2'-carboxylic acid (PubChem CID 90702501) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is spiro[indole-3,4'-pyrrolidine]-2'-carboxylic acid.

Molecular Properties

Compound Namespiro[indole-3,4'-pyrrolidine]-2'-carboxylic acid
PubChem CID90702501
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Namespiro[indole-3,4'-pyrrolidine]-2'-carboxylic acid
SMILESO=C(O)C1CC2(C=Nc3ccccc32)CN1
InChIInChI=1S/C12H12N2O2/c15-11(16)10-5-12(7-14-10)6-13-9-4-2-1-3-8(9)12/h1-4,6,10,14H,5,7H2,(H,15,16)
InChIKeyFPONLMMQIJGRJM-UHFFFAOYSA-N
XLogP1.09
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4,4-dibromopyrrolidine-2-carboxylic acid
CID 118556708
2'-methylsulfonylspiro[indole-3,4'-piperidine]-1'-carboxamide
CID 68895866
3-benzyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylic acid
CID 175842980
2-(3-formylindol-3-yl)acetic acid
CID 135207400
2,6-diazaspiro[3.4]octane-7-carboxylic acid
CID 165458055
(2S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 54006314
2-oxo-N-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 123527468
1'-(2,4,6-trimethylphenyl)spiro[indole-3,4'-piperidine]
CID 177414966
(2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid
CID 154707113
(2S,4S)-4-methylpyrrolidine-2,4-dicarboxylic acid
CID 131853528
3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-one
CID 122380476
(2S)-2-amino-3-(3-hydroxyindol-3-yl)propanoic acid
CID 70566881

Frequently Asked Questions

What is the IUPAC name of spiro[indole-3,4'-pyrrolidine]-2'-carboxylic acid?
The IUPAC name of spiro[indole-3,4'-pyrrolidine]-2'-carboxylic acid (CID 90702501) is spiro[indole-3,4'-pyrrolidine]-2'-carboxylic acid.
What is the SMILES notation for spiro[indole-3,4'-pyrrolidine]-2'-carboxylic acid?
The canonical SMILES for spiro[indole-3,4'-pyrrolidine]-2'-carboxylic acid is O=C(O)C1CC2(C=Nc3ccccc32)CN1.
What is the InChIKey of spiro[indole-3,4'-pyrrolidine]-2'-carboxylic acid?
The InChIKey is FPONLMMQIJGRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-11(16)10-5-12(7-14-10)6-13-9-4-2-1-3-8(9)12/h1-4,6,10,14H,5,7H2,(H,15,16).
What are the key properties of spiro[indole-3,4'-pyrrolidine]-2'-carboxylic acid?
spiro[indole-3,4'-pyrrolidine]-2'-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[indole-3,4'-pyrrolidine]-2'-carboxylic acid is sourced from PubChem (CID 90702501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).