3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one

C26H36N2O2Si — CID 156857865

IUPAC3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1(C[C@H](N)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCNC1=O
InChIInChI=1S/C26H36N2O2Si/c1-5-16-26(17-18-28-24(26)29)19-21(27)20-30-31(25(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h5-15,21H,1,16-20,27H2,2-4H3,(H,28,29)/t21-,26?/m0/s1
InChIKeyKBMUIVQFFDVBJZ-GVNKFJBHSA-N
MW436.67 g/mol
LogP3.36
Rot. Bonds9

About 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one

3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one (PubChem CID 156857865) has the molecular formula C26H36N2O2Si and a molecular weight of 436.67 g/mol. Its IUPAC name is 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one
PubChem CID156857865
Molecular FormulaC26H36N2O2Si
Molecular Weight436.67 g/mol
Exact Mass436.25
IUPAC Name3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1(C[C@H](N)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCNC1=O
InChIInChI=1S/C26H36N2O2Si/c1-5-16-26(17-18-28-24(26)29)19-21(27)20-30-31(25(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h5-15,21H,1,16-20,27H2,2-4H3,(H,28,29)/t21-,26?/m0/s1
InChIKeyKBMUIVQFFDVBJZ-GVNKFJBHSA-N
XLogP3.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.67
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one 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 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one?
The IUPAC name of 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one (CID 156857865) is 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one is C=CCC1(C[C@H](N)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCNC1=O.
What is the InChIKey of 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one?
The InChIKey is KBMUIVQFFDVBJZ-GVNKFJBHSA-N. The full InChI is InChI=1S/C26H36N2O2Si/c1-5-16-26(17-18-28-24(26)29)19-21(27)20-30-31(25(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h5-15,21H,1,16-20,27H2,2-4H3,(H,28,29)/t21-,26?/m0/s1.
What are the key properties of 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one?
3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one has a molecular weight of 436.67 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 156857865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).