(2R,3S)-2-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylic acid

C24H43NO6Si — CID 70161757

IUPAC(2R,3S)-2-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylic acid
SMILESCC=C[C@@H]1CC(=O)N(C(=O)O)[C@@]1([C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1)C(C)(C)C
InChIInChI=1S/C24H43NO6Si/c1-12-13-16-14-18(26)25(20(27)28)24(16,21(2,3)4)19(17-15-29-23(8,9)30-17)31-32(10,11)22(5,6)7/h12-13,16-17,19H,14-15H2,1-11H3,(H,27,28)/t16-,17-,19-,24+/m1/s1
InChIKeyWSWADRMGHAOLGK-CFDUCQJRSA-N
MW469.70 g/mol
LogP5.42
Rot. Bonds5

About (2R,3S)-2-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylic acid

(2R,3S)-2-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylic acid (PubChem CID 70161757) has the molecular formula C24H43NO6Si and a molecular weight of 469.70 g/mol. Its IUPAC name is (2R,3S)-2-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-2-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylic acid
PubChem CID70161757
Molecular FormulaC24H43NO6Si
Molecular Weight469.70 g/mol
Exact Mass469.29
IUPAC Name(2R,3S)-2-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylic acid
SMILESCC=C[C@@H]1CC(=O)N(C(=O)O)[C@@]1([C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1)C(C)(C)C
InChIInChI=1S/C24H43NO6Si/c1-12-13-16-14-18(26)25(20(27)28)24(16,21(2,3)4)19(17-15-29-23(8,9)30-17)31-32(10,11)22(5,6)7/h12-13,16-17,19H,14-15H2,1-11H3,(H,27,28)/t16-,17-,19-,24+/m1/s1
InChIKeyWSWADRMGHAOLGK-CFDUCQJRSA-N
XLogP5.42
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.70
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3S)-2-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylic acid 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,3S)-2-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,3S)-2-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylic acid (CID 70161757) is (2R,3S)-2-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,3S)-2-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,3S)-2-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylic acid is CC=C[C@@H]1CC(=O)N(C(=O)O)[C@@]1([C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1)C(C)(C)C.
What is the InChIKey of (2R,3S)-2-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylic acid?
The InChIKey is WSWADRMGHAOLGK-CFDUCQJRSA-N. The full InChI is InChI=1S/C24H43NO6Si/c1-12-13-16-14-18(26)25(20(27)28)24(16,21(2,3)4)19(17-15-29-23(8,9)30-17)31-32(10,11)22(5,6)7/h12-13,16-17,19H,14-15H2,1-11H3,(H,27,28)/t16-,17-,19-,24+/m1/s1.
What are the key properties of (2R,3S)-2-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylic acid?
(2R,3S)-2-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylic acid has a molecular weight of 469.70 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxo-3-prop-1-enylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 70161757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).