(2'S,3R)-1'-[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

C20H24N4O3 — CID 163372337

IUPAC(2'S,3R)-1'-[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESNC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@H]1NC[C@@H]3CCC[C@@H]31)C(=O)Nc1ccccc12
InChIInChI=1S/C20H24N4O3/c21-17(25)15-8-20(13-6-1-2-7-14(13)23-19(20)27)10-24(15)18(26)16-12-5-3-4-11(12)9-22-16/h1-2,6-7,11-12,15-16,22H,3-5,8-10H2,(H2,21,25)(H,23,27)/t11-,12-,15-,16-,20-/m0/s1
InChIKeyKTTGAVWITFKESR-SXYSGAINSA-N
MW368.44 g/mol
LogP0.35
Rot. Bonds2

About (2'S,3R)-1'-[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

(2'S,3R)-1'-[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 163372337) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (2'S,3R)-1'-[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound Name(2'S,3R)-1'-[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID163372337
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(2'S,3R)-1'-[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESNC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@H]1NC[C@@H]3CCC[C@@H]31)C(=O)Nc1ccccc12
InChIInChI=1S/C20H24N4O3/c21-17(25)15-8-20(13-6-1-2-7-14(13)23-19(20)27)10-24(15)18(26)16-12-5-3-4-11(12)9-22-16/h1-2,6-7,11-12,15-16,22H,3-5,8-10H2,(H2,21,25)(H,23,27)/t11-,12-,15-,16-,20-/m0/s1
InChIKeyKTTGAVWITFKESR-SXYSGAINSA-N
XLogP0.35
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2'S,3R)-1'-[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide with MolForge

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Related Compounds

(2'S,3R)-1'-[5-methyl-2-(methylamino)hexanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 175232346
benzyl N-[(2S)-1-[(2'S,3R)-2'-carbamoyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]carbamate
CID 163373616
benzyl N-[(2S)-1-[(2'S,3R)-2'-carbamoyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]carbamate
CID 164777020
1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 156901883
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 102892507
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
methyl (2'S,3S)-1'-(tert-butylsulfanylcarbamoyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
CID 141497092
tert-butyl (2'S)-2'-carbamoyl-5-chloro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate
CID 164777025
1-methyl-N-[(1R,3R)-3-[(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]cyclohexyl]cyclopropane-1-carboxamide
CID 157012359
(2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide
CID 163846050
methyl 4-bromo-2-[[[(2S)-1-[(2'S,3R)-2'-carbamoyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]amino]methyl]benzoate
CID 168792868
5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 175928748

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-1'-[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of (2'S,3R)-1'-[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 163372337) is (2'S,3R)-1'-[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for (2'S,3R)-1'-[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for (2'S,3R)-1'-[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@H]1NC[C@@H]3CCC[C@@H]31)C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3R)-1'-[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is KTTGAVWITFKESR-SXYSGAINSA-N. The full InChI is InChI=1S/C20H24N4O3/c21-17(25)15-8-20(13-6-1-2-7-14(13)23-19(20)27)10-24(15)18(26)16-12-5-3-4-11(12)9-22-16/h1-2,6-7,11-12,15-16,22H,3-5,8-10H2,(H2,21,25)(H,23,27)/t11-,12-,15-,16-,20-/m0/s1.
What are the key properties of (2'S,3R)-1'-[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
(2'S,3R)-1'-[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-1'-[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 163372337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).