tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate

C22H35NO5Si — CID 23634960

IUPACtert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@H](OCc2ccccc2)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H35NO5Si/c1-21(2,3)28-20(25)23-17(15-27-29(7,8)22(4,5)6)18(19(23)24)26-14-16-12-10-9-11-13-16/h9-13,17-18H,14-15H2,1-8H3/t17-,18+/m0/s1
InChIKeyUFKICNRTTMWVRD-ZWKOTPCHSA-N
MW421.61 g/mol
LogP4.74
Rot. Bonds6

About tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate

tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate (PubChem CID 23634960) has the molecular formula C22H35NO5Si and a molecular weight of 421.61 g/mol. Its IUPAC name is tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate
PubChem CID23634960
Molecular FormulaC22H35NO5Si
Molecular Weight421.61 g/mol
Exact Mass421.23
IUPAC Nametert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@H](OCc2ccccc2)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H35NO5Si/c1-21(2,3)28-20(25)23-17(15-27-29(7,8)22(4,5)6)18(19(23)24)26-14-16-12-10-9-11-13-16/h9-13,17-18H,14-15H2,1-8H3/t17-,18+/m0/s1
InChIKeyUFKICNRTTMWVRD-ZWKOTPCHSA-N
XLogP4.74
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxyazetidine-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

Related Compounds

tert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-phenylmethoxyethyl]-1,3-oxazolidine-3-carboxylate
CID 10315806
(5R,6S)-N-(Benzyloxycarbonyl)-6-methyl-5-(triisopropylsiloxy)-2-piperidinone
CID 10645767
1-(1,1-Dimethylethyl) 2-(phenylmethyl) (2S)-4-oxo-1,2-azetidinedicarboxylate
CID 11001235
tert-butyl (4R)-4-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11953595
tert-butyl (3R,4S)-3-ethenyl-2-oxo-4-(phenylmethoxymethyl)azetidine-1-carboxylate
CID 15025573
tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxymethyl)piperidine-1-carboxylate
CID 44179088
tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxypiperidine-1-carboxylate
CID 54598007
(4S)-3-[(2R)-2-phenylmethoxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101069813
(4S)-3-[(2R)-3-phenylmethoxy-2-triethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101069820
N(Boc2)Nva(OTBDMS)-OBn
CID 102143688
(s)-1-Benzyloxycarbonyl-3-(t-butyldimethylsilyloxy)-2-pyrrolidinone
CID 129822840
tert-butyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate
CID 134830504

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate (CID 23634960) is tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@H](OCc2ccccc2)[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate?
The InChIKey is UFKICNRTTMWVRD-ZWKOTPCHSA-N. The full InChI is InChI=1S/C22H35NO5Si/c1-21(2,3)28-20(25)23-17(15-27-29(7,8)22(4,5)6)18(19(23)24)26-14-16-12-10-9-11-13-16/h9-13,17-18H,14-15H2,1-8H3/t17-,18+/m0/s1.
What are the key properties of tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate?
tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate has a molecular weight of 421.61 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxyazetidine-1-carboxylate is sourced from PubChem (CID 23634960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).