prop-2-enyl 2-[(2R,3S)-2-[2-(3-aminophenyl)-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate

C39H43N2O5PSi — CID 58844338

IUPACprop-2-enyl 2-[(2R,3S)-2-[2-(3-aminophenyl)-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
SMILESC=CCOC(=O)C(N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C)[C@H]1CC(=O)c1cccc(N)c1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H43N2O5PSi/c1-6-25-45-39(44)38(47(31-19-10-7-11-20-31,32-21-12-8-13-22-32)33-23-14-9-15-24-33)41-34(27-35(42)29-17-16-18-30(40)26-29)36(37(41)43)28(2)46-48(3,4)5/h6-24,26,28,34,36H,1,25,27,40H2,2-5H3/t28-,34-,36-/m1/s1
InChIKeyRFOJAIUWANNKKI-YOBZMKHOSA-N
MW678.84 g/mol
LogP5.76
Rot. Bonds13

About prop-2-enyl 2-[(2R,3S)-2-[2-(3-aminophenyl)-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate

prop-2-enyl 2-[(2R,3S)-2-[2-(3-aminophenyl)-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate (PubChem CID 58844338) has the molecular formula C39H43N2O5PSi and a molecular weight of 678.84 g/mol. Its IUPAC name is prop-2-enyl 2-[(2R,3S)-2-[2-(3-aminophenyl)-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[(2R,3S)-2-[2-(3-aminophenyl)-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
PubChem CID58844338
Molecular FormulaC39H43N2O5PSi
Molecular Weight678.84 g/mol
Exact Mass678.27
IUPAC Nameprop-2-enyl 2-[(2R,3S)-2-[2-(3-aminophenyl)-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
SMILESC=CCOC(=O)C(N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C)[C@H]1CC(=O)c1cccc(N)c1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H43N2O5PSi/c1-6-25-45-39(44)38(47(31-19-10-7-11-20-31,32-21-12-8-13-22-32)33-23-14-9-15-24-33)41-34(27-35(42)29-17-16-18-30(40)26-29)36(37(41)43)28(2)46-48(3,4)5/h6-24,26,28,34,36H,1,25,27,40H2,2-5H3/t28-,34-,36-/m1/s1
InChIKeyRFOJAIUWANNKKI-YOBZMKHOSA-N
XLogP5.76
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.84
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze prop-2-enyl 2-[(2R,3S)-2-[2-(3-aminophenyl)-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate 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 2-[(2R,3S)-2-[2-(3-aminophenyl)-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate?
The IUPAC name of prop-2-enyl 2-[(2R,3S)-2-[2-(3-aminophenyl)-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate (CID 58844338) is prop-2-enyl 2-[(2R,3S)-2-[2-(3-aminophenyl)-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate.
What is the SMILES notation for prop-2-enyl 2-[(2R,3S)-2-[2-(3-aminophenyl)-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate?
The canonical SMILES for prop-2-enyl 2-[(2R,3S)-2-[2-(3-aminophenyl)-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate is C=CCOC(=O)C(N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C)[C@H]1CC(=O)c1cccc(N)c1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of prop-2-enyl 2-[(2R,3S)-2-[2-(3-aminophenyl)-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate?
The InChIKey is RFOJAIUWANNKKI-YOBZMKHOSA-N. The full InChI is InChI=1S/C39H43N2O5PSi/c1-6-25-45-39(44)38(47(31-19-10-7-11-20-31,32-21-12-8-13-22-32)33-23-14-9-15-24-33)41-34(27-35(42)29-17-16-18-30(40)26-29)36(37(41)43)28(2)46-48(3,4)5/h6-24,26,28,34,36H,1,25,27,40H2,2-5H3/t28-,34-,36-/m1/s1.
What are the key properties of prop-2-enyl 2-[(2R,3S)-2-[2-(3-aminophenyl)-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate?
prop-2-enyl 2-[(2R,3S)-2-[2-(3-aminophenyl)-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate has a molecular weight of 678.84 g/mol, XLogP of 5.76, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[(2R,3S)-2-[2-(3-aminophenyl)-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate is sourced from PubChem (CID 58844338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).