(2'R,3S)-5-chloro-2'-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid

C18H17ClN2O2 — CID 141353184

IUPAC(2'R,3S)-5-chloro-2'-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid
SMILESO=C(O)N1CC[C@]2(CNc3ccc(Cl)cc32)[C@H]1c1ccccc1
InChIInChI=1S/C18H17ClN2O2/c19-13-6-7-15-14(10-13)18(11-20-15)8-9-21(17(22)23)16(18)12-4-2-1-3-5-12/h1-7,10,16,20H,8-9,11H2,(H,22,23)/t16-,18-/m1/s1
InChIKeyXYBGLHUALIZINA-SJLPKXTDSA-N
MW328.80 g/mol
LogP4.13
Rot. Bonds1

About (2'R,3S)-5-chloro-2'-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid

(2'R,3S)-5-chloro-2'-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid (PubChem CID 141353184) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is (2'R,3S)-5-chloro-2'-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid.

Molecular Properties

Compound Name(2'R,3S)-5-chloro-2'-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid
PubChem CID141353184
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name(2'R,3S)-5-chloro-2'-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid
SMILESO=C(O)N1CC[C@]2(CNc3ccc(Cl)cc32)[C@H]1c1ccccc1
InChIInChI=1S/C18H17ClN2O2/c19-13-6-7-15-14(10-13)18(11-20-15)8-9-21(17(22)23)16(18)12-4-2-1-3-5-12/h1-7,10,16,20H,8-9,11H2,(H,22,23)/t16-,18-/m1/s1
InChIKeyXYBGLHUALIZINA-SJLPKXTDSA-N
XLogP4.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2'R,3S)-5-chloro-2'-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid?
The IUPAC name of (2'R,3S)-5-chloro-2'-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid (CID 141353184) is (2'R,3S)-5-chloro-2'-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid.
What is the SMILES notation for (2'R,3S)-5-chloro-2'-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid?
The canonical SMILES for (2'R,3S)-5-chloro-2'-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid is O=C(O)N1CC[C@]2(CNc3ccc(Cl)cc32)[C@H]1c1ccccc1.
What is the InChIKey of (2'R,3S)-5-chloro-2'-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid?
The InChIKey is XYBGLHUALIZINA-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-13-6-7-15-14(10-13)18(11-20-15)8-9-21(17(22)23)16(18)12-4-2-1-3-5-12/h1-7,10,16,20H,8-9,11H2,(H,22,23)/t16-,18-/m1/s1.
What are the key properties of (2'R,3S)-5-chloro-2'-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid?
(2'R,3S)-5-chloro-2'-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid has a molecular weight of 328.80 g/mol, XLogP of 4.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S)-5-chloro-2'-phenylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid is sourced from PubChem (CID 141353184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).