(4S,5R)-1-[(2R,3R)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one

C29H41N3O3Si — CID 10625441

IUPAC(4S,5R)-1-[(2R,3R)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](N2C(=O)N(C)[C@@H](C)[C@H]2c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C29H41N3O3Si/c1-20-24(23-17-13-10-14-18-23)32(28(34)30(20)6)26-25(21(2)35-36(7,8)29(3,4)5)31(27(26)33)19-22-15-11-9-12-16-22/h9-18,20-21,24-26H,19H2,1-8H3/t20-,21-,24-,25-,26+/m0/s1
InChIKeyRYIWPNXWOFMTRD-OHLMBLSPSA-N
MW507.75 g/mol
LogP5.67
Rot. Bonds7

About (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one

(4S,5R)-1-[(2R,3R)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one (PubChem CID 10625441) has the molecular formula C29H41N3O3Si and a molecular weight of 507.75 g/mol. Its IUPAC name is (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-1-[(2R,3R)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
PubChem CID10625441
Molecular FormulaC29H41N3O3Si
Molecular Weight507.75 g/mol
Exact Mass507.29
IUPAC Name(4S,5R)-1-[(2R,3R)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](N2C(=O)N(C)[C@@H](C)[C@H]2c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C29H41N3O3Si/c1-20-24(23-17-13-10-14-18-23)32(28(34)30(20)6)26-25(21(2)35-36(7,8)29(3,4)5)31(27(26)33)19-22-15-11-9-12-16-22/h9-18,20-21,24-26H,19H2,1-8H3/t20-,21-,24-,25-,26+/m0/s1
InChIKeyRYIWPNXWOFMTRD-OHLMBLSPSA-N
XLogP5.67
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.75
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-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

Related Compounds

(4S)-3-[(2R,3R)-1-benzyl-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-tert-butyl-1,3-oxazolidin-2-one
CID 10527971
(4S,5R)-1-[(2R,3R)-1-benzyl-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 10696964
(4S)-3-[(2S,3S)-1-benzyl-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10765809
methyl 6-[(4R,5R)-1,3-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxoimidazolidin-4-yl]-6-oxohexanoate
CID 73333980
5-[2-(Tert-butyl-diphenyl-silanyloxy)-ethyl]-3-(4-methyl-benzyl)-1-propyl-imidazolidine-2,4-dione
CID 57719258
2-Benzyl-7-[tert-butyl(dimethyl)silyl]oxy-5,8-dimethyl-2,5-diazaspiro[3.4]octane-3,6-dione
CID 140925833
(4R)-3-[(3R,4S)-2-oxo-1-trimethylsilyl-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10505711
(4S)-3-[(3R,4S)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10506797
(4S,5R)-1-[(2R,3R)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 10531090
(4S)-3-[(2R,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-oxo-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10531417
(4S)-3-[(2R,3R)-1-benzyl-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10552752
(4S)-3-[(3R,4S)-2-oxo-4-[(1S)-1-triethylsilyloxyethyl]-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10576041

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one?
The IUPAC name of (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one (CID 10625441) is (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one.
What is the SMILES notation for (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one?
The canonical SMILES for (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one is C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](N2C(=O)N(C)[C@@H](C)[C@H]2c2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one?
The InChIKey is RYIWPNXWOFMTRD-OHLMBLSPSA-N. The full InChI is InChI=1S/C29H41N3O3Si/c1-20-24(23-17-13-10-14-18-23)32(28(34)30(20)6)26-25(21(2)35-36(7,8)29(3,4)5)31(27(26)33)19-22-15-11-9-12-16-22/h9-18,20-21,24-26H,19H2,1-8H3/t20-,21-,24-,25-,26+/m0/s1.
What are the key properties of (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one?
(4S,5R)-1-[(2R,3R)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one has a molecular weight of 507.75 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1-[(2R,3R)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one is sourced from PubChem (CID 10625441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).