benzyl N-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate

C26H36N2O4Si — CID 11826773

IUPACbenzyl N-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1[C@H](NC(=O)OCc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C26H36N2O4Si/c1-19(32-33(5,6)26(2,3)4)23-22(24(29)28(23)17-20-13-9-7-10-14-20)27-25(30)31-18-21-15-11-8-12-16-21/h7-16,19,22-23H,17-18H2,1-6H3,(H,27,30)/t19-,22-,23+/m0/s1
InChIKeyYNEBHSZQLGXHIK-AJSBUHFISA-N
MW468.67 g/mol
LogP5.10
Rot. Bonds8

About benzyl N-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate

benzyl N-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate (PubChem CID 11826773) has the molecular formula C26H36N2O4Si and a molecular weight of 468.67 g/mol. Its IUPAC name is benzyl N-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate
PubChem CID11826773
Molecular FormulaC26H36N2O4Si
Molecular Weight468.67 g/mol
Exact Mass468.24
IUPAC Namebenzyl N-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1[C@H](NC(=O)OCc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C26H36N2O4Si/c1-19(32-33(5,6)26(2,3)4)23-22(24(29)28(23)17-20-13-9-7-10-14-20)27-25(30)31-18-21-15-11-8-12-16-21/h7-16,19,22-23H,17-18H2,1-6H3,(H,27,30)/t19-,22-,23+/m0/s1
InChIKeyYNEBHSZQLGXHIK-AJSBUHFISA-N
XLogP5.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.67
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate
CID 15339572
(3R,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxyazetidin-2-one
CID 155677974
(3R,4R)-1-benzyl-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-hydroxyazetidin-2-one
CID 10992980
(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
benzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyl-4-oxoazetidin-1-yl]acetate
CID 101370654
benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-yl]carbamate
CID 174093029
benzyl N-[(3S,4aS,5R,8aS)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxo-4a,5,8,8a-tetrahydroisochromen-5-yl]carbamate
CID 164667841
benzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfonyl-4-oxoazetidin-1-yl]-3-methylbut-2-enoate
CID 56610739
benzyl N-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 140747567
benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate
CID 54247861
benzyl N-[(2R,3R)-2-acetyl-4-oxoazetidin-3-yl]carbamate
CID 54247862
methyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate
CID 11517701

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate (CID 11826773) is benzyl N-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1[C@H](NC(=O)OCc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of benzyl N-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate?
The InChIKey is YNEBHSZQLGXHIK-AJSBUHFISA-N. The full InChI is InChI=1S/C26H36N2O4Si/c1-19(32-33(5,6)26(2,3)4)23-22(24(29)28(23)17-20-13-9-7-10-14-20)27-25(30)31-18-21-15-11-8-12-16-21/h7-16,19,22-23H,17-18H2,1-6H3,(H,27,30)/t19-,22-,23+/m0/s1.
What are the key properties of benzyl N-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate?
benzyl N-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate has a molecular weight of 468.67 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 11826773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).