benzyl (3R)-1-acetyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate

C21H20N2O4 — CID 102192243

IUPACbenzyl (3R)-1-acetyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate
SMILESCC(=O)N1C(=O)[C@]2(CCN(C(=O)OCc3ccccc3)C2)c2ccccc21
InChIInChI=1S/C21H20N2O4/c1-15(24)23-18-10-6-5-9-17(18)21(19(23)25)11-12-22(14-21)20(26)27-13-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3/t21-/m0/s1
InChIKeyOCFCCPOUOAWCPO-NRFANRHFSA-N
MW364.40 g/mol
LogP2.86
Rot. Bonds2

About benzyl (3R)-1-acetyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate

benzyl (3R)-1-acetyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate (PubChem CID 102192243) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is benzyl (3R)-1-acetyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-1-acetyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate
PubChem CID102192243
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Namebenzyl (3R)-1-acetyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate
SMILESCC(=O)N1C(=O)[C@]2(CCN(C(=O)OCc3ccccc3)C2)c2ccccc21
InChIInChI=1S/C21H20N2O4/c1-15(24)23-18-10-6-5-9-17(18)21(19(23)25)11-12-22(14-21)20(26)27-13-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3/t21-/m0/s1
InChIKeyOCFCCPOUOAWCPO-NRFANRHFSA-N
XLogP2.86
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 102192246
methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 134795039
benzyl (3R)-1-oxa-6-azaspiro[2.4]heptane-6-carboxylate
CID 97169066
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate
CID 134177582
benzyl 2-oxospiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-1'-carboxylate
CID 134794145
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
3-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 63146599
benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 119081423
benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 14127359
benzyl 2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 71649492
benzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
CID 59433376

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-1-acetyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate?
The IUPAC name of benzyl (3R)-1-acetyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate (CID 102192243) is benzyl (3R)-1-acetyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for benzyl (3R)-1-acetyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for benzyl (3R)-1-acetyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate is CC(=O)N1C(=O)[C@]2(CCN(C(=O)OCc3ccccc3)C2)c2ccccc21.
What is the InChIKey of benzyl (3R)-1-acetyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate?
The InChIKey is OCFCCPOUOAWCPO-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-15(24)23-18-10-6-5-9-17(18)21(19(23)25)11-12-22(14-21)20(26)27-13-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3/t21-/m0/s1.
What are the key properties of benzyl (3R)-1-acetyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate?
benzyl (3R)-1-acetyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate has a molecular weight of 364.40 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-1-acetyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 102192243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).