prop-2-enyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]azetidine-1-carboxylate

C20H34N2O5Si — CID 15117245

IUPACprop-2-enyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]azetidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(C(=O)C[C@H]2NC(=O)[C@@H]2[C@@H](C)O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C20H34N2O5Si/c1-8-9-26-19(25)22-11-14(12-22)16(23)10-15-17(18(24)21-15)13(2)27-28(6,7)20(3,4)5/h8,13-15,17H,1,9-12H2,2-7H3,(H,21,24)/t13-,15-,17-/m1/s1
InChIKeyIAGMJWVIEWLJCO-FRFSOERESA-N
MW410.59 g/mol
LogP2.72
Rot. Bonds8

About prop-2-enyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]azetidine-1-carboxylate

prop-2-enyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]azetidine-1-carboxylate (PubChem CID 15117245) has the molecular formula C20H34N2O5Si and a molecular weight of 410.59 g/mol. Its IUPAC name is prop-2-enyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]azetidine-1-carboxylate
PubChem CID15117245
Molecular FormulaC20H34N2O5Si
Molecular Weight410.59 g/mol
Exact Mass410.22
IUPAC Nameprop-2-enyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]azetidine-1-carboxylate
SMILESC=CCOC(=O)N1CC(C(=O)C[C@H]2NC(=O)[C@@H]2[C@@H](C)O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C20H34N2O5Si/c1-8-9-26-19(25)22-11-14(12-22)16(23)10-15-17(18(24)21-15)13(2)27-28(6,7)20(3,4)5/h8,13-15,17H,1,9-12H2,2-7H3,(H,21,24)/t13-,15-,17-/m1/s1
InChIKeyIAGMJWVIEWLJCO-FRFSOERESA-N
XLogP2.72
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 52.72
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 prop-2-enyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]azetidine-1-carboxylate 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 prop-2-enyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]azetidine-1-carboxylate?
The IUPAC name of prop-2-enyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]azetidine-1-carboxylate (CID 15117245) is prop-2-enyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]azetidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]azetidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]azetidine-1-carboxylate is C=CCOC(=O)N1CC(C(=O)C[C@H]2NC(=O)[C@@H]2[C@@H](C)O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of prop-2-enyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]azetidine-1-carboxylate?
The InChIKey is IAGMJWVIEWLJCO-FRFSOERESA-N. The full InChI is InChI=1S/C20H34N2O5Si/c1-8-9-26-19(25)22-11-14(12-22)16(23)10-15-17(18(24)21-15)13(2)27-28(6,7)20(3,4)5/h8,13-15,17H,1,9-12H2,2-7H3,(H,21,24)/t13-,15-,17-/m1/s1.
What are the key properties of prop-2-enyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]azetidine-1-carboxylate?
prop-2-enyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]azetidine-1-carboxylate has a molecular weight of 410.59 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]azetidine-1-carboxylate is sourced from PubChem (CID 15117245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).