(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one

C23H31NO2Si — CID 102015002

IUPAC(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H31NO2Si/c1-23(2,3)27(4,5)26-17-20-21(19-14-10-7-11-15-19)22(25)24(20)16-18-12-8-6-9-13-18/h6-15,20-21H,16-17H2,1-5H3/t20-,21+/m1/s1
InChIKeyAWSAHKXLLRBLAE-RTWAWAEBSA-N
MW381.59 g/mol
LogP5.20
Rot. Bonds6

About (3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one

(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one (PubChem CID 102015002) has the molecular formula C23H31NO2Si and a molecular weight of 381.59 g/mol. Its IUPAC name is (3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
PubChem CID102015002
Molecular FormulaC23H31NO2Si
Molecular Weight381.59 g/mol
Exact Mass381.21
IUPAC Name(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H31NO2Si/c1-23(2,3)27(4,5)26-17-20-21(19-14-10-7-11-15-19)22(25)24(20)16-18-12-8-6-9-13-18/h6-15,20-21H,16-17H2,1-5H3/t20-,21+/m1/s1
InChIKeyAWSAHKXLLRBLAE-RTWAWAEBSA-N
XLogP5.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.59
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-1-Benzoyl-4-phenyl-3-[(triethylsilyl)oxy]-2-azetidinone
CID 10500068
(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)azetidin-2-one
CID 135070889
(3R,4S)-1-Benzoyl-4-phenyl-3-((triisopropylsilyl)oxy)azetidin-2-one
CID 15813747
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one
CID 59089990
(3S,4R)-3-ethenyl-1-[(1S)-2-methoxy-1-phenylethyl]-4-phenylazetidin-2-one
CID 11324265
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
CID 15895933
(3S,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylazetidin-2-one
CID 15895934
(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylazetidin-2-one
CID 102014999
(3R,4R)-1-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylazetidin-2-one
CID 102015000
(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
CID 102015001
ethyl 2-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylazetidin-1-yl]acetate
CID 102015005
(3S,4R)-1-benzyl-4-(hydroxymethyl)-3-phenylazetidin-2-one
CID 102015010

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one?
The IUPAC name of (3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one (CID 102015002) is (3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one.
What is the SMILES notation for (3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one?
The canonical SMILES for (3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one is CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](c2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one?
The InChIKey is AWSAHKXLLRBLAE-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H31NO2Si/c1-23(2,3)27(4,5)26-17-20-21(19-14-10-7-11-15-19)22(25)24(20)16-18-12-8-6-9-13-18/h6-15,20-21H,16-17H2,1-5H3/t20-,21+/m1/s1.
What are the key properties of (3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one?
(3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one has a molecular weight of 381.59 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one is sourced from PubChem (CID 102015002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).