(3R,4S)-1-(3-cyclopentylpropanoyl)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one

C26H41NO3Si — CID 57102030

IUPAC(3R,4S)-1-(3-cyclopentylpropanoyl)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCC(C)[Si](O[C@H]1C(=O)N(C(=O)CCC2CCCC2)[C@H]1c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C26H41NO3Si/c1-18(2)31(19(3)4,20(5)6)30-25-24(22-14-8-7-9-15-22)27(26(25)29)23(28)17-16-21-12-10-11-13-21/h7-9,14-15,18-21,24-25H,10-13,16-17H2,1-6H3/t24-,25+/m0/s1
InChIKeyKLZLJFFTPYXMEM-LOSJGSFVSA-N
MW443.70 g/mol
LogP6.63
Rot. Bonds9

About (3R,4S)-1-(3-cyclopentylpropanoyl)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one

(3R,4S)-1-(3-cyclopentylpropanoyl)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one (PubChem CID 57102030) has the molecular formula C26H41NO3Si and a molecular weight of 443.70 g/mol. Its IUPAC name is (3R,4S)-1-(3-cyclopentylpropanoyl)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-(3-cyclopentylpropanoyl)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one
PubChem CID57102030
Molecular FormulaC26H41NO3Si
Molecular Weight443.70 g/mol
Exact Mass443.29
IUPAC Name(3R,4S)-1-(3-cyclopentylpropanoyl)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCC(C)[Si](O[C@H]1C(=O)N(C(=O)CCC2CCCC2)[C@H]1c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C26H41NO3Si/c1-18(2)31(19(3)4,20(5)6)30-25-24(22-14-8-7-9-15-22)27(26(25)29)23(28)17-16-21-12-10-11-13-21/h7-9,14-15,18-21,24-25H,10-13,16-17H2,1-6H3/t24-,25+/m0/s1
InChIKeyKLZLJFFTPYXMEM-LOSJGSFVSA-N
XLogP6.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.70
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,4S)-1-(3-cyclopentylpropanoyl)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-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 (3R,4S)-1-(3-cyclopentylpropanoyl)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The IUPAC name of (3R,4S)-1-(3-cyclopentylpropanoyl)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one (CID 57102030) is (3R,4S)-1-(3-cyclopentylpropanoyl)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-(3-cyclopentylpropanoyl)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The canonical SMILES for (3R,4S)-1-(3-cyclopentylpropanoyl)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one is CC(C)[Si](O[C@H]1C(=O)N(C(=O)CCC2CCCC2)[C@H]1c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of (3R,4S)-1-(3-cyclopentylpropanoyl)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The InChIKey is KLZLJFFTPYXMEM-LOSJGSFVSA-N. The full InChI is InChI=1S/C26H41NO3Si/c1-18(2)31(19(3)4,20(5)6)30-25-24(22-14-8-7-9-15-22)27(26(25)29)23(28)17-16-21-12-10-11-13-21/h7-9,14-15,18-21,24-25H,10-13,16-17H2,1-6H3/t24-,25+/m0/s1.
What are the key properties of (3R,4S)-1-(3-cyclopentylpropanoyl)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one?
(3R,4S)-1-(3-cyclopentylpropanoyl)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one has a molecular weight of 443.70 g/mol, XLogP of 6.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(3-cyclopentylpropanoyl)-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-2-one is sourced from PubChem (CID 57102030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).