N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide

C28H35N5O5 — CID 167054389

IUPACN-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide
SMILESCC(C)(C)C[C@H](NC(=O)C(CC1CC1)N1CCOC1=O)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12
InChIInChI=1S/C28H35N5O5/c1-27(2,3)14-21(30-23(34)22(12-17-8-9-17)32-10-11-38-26(32)37)24(35)33-16-28(13-18(33)15-29)19-6-4-5-7-20(19)31-25(28)36/h4-7,17-18,21-22H,8-14,16H2,1-3H3,(H,30,34)(H,31,36)/t18-,21-,22?,28-/m0/s1
InChIKeyXFWKLEGHDJKQHG-LSEGWJRLSA-N
MW521.62 g/mol
LogP2.54
Rot. Bonds7

About N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide

N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide (PubChem CID 167054389) has the molecular formula C28H35N5O5 and a molecular weight of 521.62 g/mol. Its IUPAC name is N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide
PubChem CID167054389
Molecular FormulaC28H35N5O5
Molecular Weight521.62 g/mol
Exact Mass521.26
IUPAC NameN-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide
SMILESCC(C)(C)C[C@H](NC(=O)C(CC1CC1)N1CCOC1=O)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12
InChIInChI=1S/C28H35N5O5/c1-27(2,3)14-21(30-23(34)22(12-17-8-9-17)32-10-11-38-26(32)37)24(35)33-16-28(13-18(33)15-29)19-6-4-5-7-20(19)31-25(28)36/h4-7,17-18,21-22H,8-14,16H2,1-3H3,(H,30,34)(H,31,36)/t18-,21-,22?,28-/m0/s1
InChIKeyXFWKLEGHDJKQHG-LSEGWJRLSA-N
XLogP2.54
TPSA131.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.62
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide with MolForge

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Related Compounds

cyclopropyl N-[(2S)-1-[[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]carbamate
CID 167446422
N-[(2S)-1-[[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,4-difluorobenzamide
CID 167446035
(2S)-N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-2-[(2,2,2-trifluoro-1-hydroxyethyl)amino]propanamide
CID 167446195
N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-2-oxo-2-phenylacetamide
CID 166487974
N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-cyclopropyl-2-(methanesulfonamido)-N-methylpropanamide
CID 167054352
(2S)-N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-cyclopropyl-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 164885503
N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-N'-cyclopropyl-N'-methyloxamide
CID 166488021
N'-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-N-(4-fluorophenyl)oxamide
CID 166487839
N'-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-N-(3,5-difluoro-4-pyridinyl)oxamide
CID 166487796
N'-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-N-(6-fluoronaphthalen-2-yl)oxamide
CID 166487981
N-[2,4-bis(trifluoromethyl)phenyl]-N'-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]oxamide
CID 166488007
1-(3-chlorophenyl)-N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]triazole-4-carboxamide
CID 163373090

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The IUPAC name of N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide (CID 167054389) is N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide.
What is the SMILES notation for N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The canonical SMILES for N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide is CC(C)(C)C[C@H](NC(=O)C(CC1CC1)N1CCOC1=O)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc12.
What is the InChIKey of N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
The InChIKey is XFWKLEGHDJKQHG-LSEGWJRLSA-N. The full InChI is InChI=1S/C28H35N5O5/c1-27(2,3)14-21(30-23(34)22(12-17-8-9-17)32-10-11-38-26(32)37)24(35)33-16-28(13-18(33)15-29)19-6-4-5-7-20(19)31-25(28)36/h4-7,17-18,21-22H,8-14,16H2,1-3H3,(H,30,34)(H,31,36)/t18-,21-,22?,28-/m0/s1.
What are the key properties of N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide?
N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide has a molecular weight of 521.62 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4,4-dimethyl-1-oxopentan-2-yl]-3-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)propanamide is sourced from PubChem (CID 167054389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).