(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-cyano-2-methylphenyl)-2-[(1S)-1-hydroxy-2-methylpropyl]pyrrolidine-1-carboxamide

C23H36ClN3O3Si — CID 59754225

IUPAC(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-cyano-2-methylphenyl)-2-[(1S)-1-hydroxy-2-methylpropyl]pyrrolidine-1-carboxamide
SMILESCc1c(NC(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2[C@@H](O)C(C)C)ccc(C#N)c1Cl
InChIInChI=1S/C23H36ClN3O3Si/c1-14(2)21(28)20-18(30-31(7,8)23(4,5)6)11-12-27(20)22(29)26-17-10-9-16(13-25)19(24)15(17)3/h9-10,14,18,20-21,28H,11-12H2,1-8H3,(H,26,29)/t18-,20+,21+/m1/s1
InChIKeyQLVKRXDTMZZNQH-GIVPXCGWSA-N
MW466.10 g/mol
LogP5.53
Rot. Bonds5

About (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-cyano-2-methylphenyl)-2-[(1S)-1-hydroxy-2-methylpropyl]pyrrolidine-1-carboxamide

(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-cyano-2-methylphenyl)-2-[(1S)-1-hydroxy-2-methylpropyl]pyrrolidine-1-carboxamide (PubChem CID 59754225) has the molecular formula C23H36ClN3O3Si and a molecular weight of 466.10 g/mol. Its IUPAC name is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-cyano-2-methylphenyl)-2-[(1S)-1-hydroxy-2-methylpropyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-cyano-2-methylphenyl)-2-[(1S)-1-hydroxy-2-methylpropyl]pyrrolidine-1-carboxamide
PubChem CID59754225
Molecular FormulaC23H36ClN3O3Si
Molecular Weight466.10 g/mol
Exact Mass465.22
IUPAC Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-cyano-2-methylphenyl)-2-[(1S)-1-hydroxy-2-methylpropyl]pyrrolidine-1-carboxamide
SMILESCc1c(NC(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2[C@@H](O)C(C)C)ccc(C#N)c1Cl
InChIInChI=1S/C23H36ClN3O3Si/c1-14(2)21(28)20-18(30-31(7,8)23(4,5)6)11-12-27(20)22(29)26-17-10-9-16(13-25)19(24)15(17)3/h9-10,14,18,20-21,28H,11-12H2,1-8H3,(H,26,29)/t18-,20+,21+/m1/s1
InChIKeyQLVKRXDTMZZNQH-GIVPXCGWSA-N
XLogP5.53
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.10
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-cyano-2-methylphenyl)-2-[(1S)-1-hydroxy-2-methylpropyl]pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-cyano-2-methylphenyl)-2-[(1S)-1-hydroxy-2-methylpropyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-cyano-2-methylphenyl)-2-[(1S)-1-hydroxy-2-methylpropyl]pyrrolidine-1-carboxamide (CID 59754225) is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-cyano-2-methylphenyl)-2-[(1S)-1-hydroxy-2-methylpropyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-cyano-2-methylphenyl)-2-[(1S)-1-hydroxy-2-methylpropyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-cyano-2-methylphenyl)-2-[(1S)-1-hydroxy-2-methylpropyl]pyrrolidine-1-carboxamide is Cc1c(NC(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2[C@@H](O)C(C)C)ccc(C#N)c1Cl.
What is the InChIKey of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-cyano-2-methylphenyl)-2-[(1S)-1-hydroxy-2-methylpropyl]pyrrolidine-1-carboxamide?
The InChIKey is QLVKRXDTMZZNQH-GIVPXCGWSA-N. The full InChI is InChI=1S/C23H36ClN3O3Si/c1-14(2)21(28)20-18(30-31(7,8)23(4,5)6)11-12-27(20)22(29)26-17-10-9-16(13-25)19(24)15(17)3/h9-10,14,18,20-21,28H,11-12H2,1-8H3,(H,26,29)/t18-,20+,21+/m1/s1.
What are the key properties of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-cyano-2-methylphenyl)-2-[(1S)-1-hydroxy-2-methylpropyl]pyrrolidine-1-carboxamide?
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-cyano-2-methylphenyl)-2-[(1S)-1-hydroxy-2-methylpropyl]pyrrolidine-1-carboxamide has a molecular weight of 466.10 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-cyano-2-methylphenyl)-2-[(1S)-1-hydroxy-2-methylpropyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 59754225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).