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

C25H44N2O4Si2 — CID 15339572

IUPACbenzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-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)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H44N2O4Si2/c1-18(31-33(10,11)25(5,6)7)21-20(22(28)27(21)32(8,9)24(2,3)4)26-23(29)30-17-19-15-13-12-14-16-19/h12-16,18,20-21H,17H2,1-11H3,(H,26,29)/t18-,20+,21+/m0/s1
InChIKeyJJPKWZXUUINBEL-CEWLAPEOSA-N
MW492.81 g/mol
LogP5.91
Rot. Bonds7

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

benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate (PubChem CID 15339572) has the molecular formula C25H44N2O4Si2 and a molecular weight of 492.81 g/mol. Its IUPAC name is benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate
PubChem CID15339572
Molecular FormulaC25H44N2O4Si2
Molecular Weight492.81 g/mol
Exact Mass492.28
IUPAC Namebenzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-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)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H44N2O4Si2/c1-18(31-33(10,11)25(5,6)7)21-20(22(28)27(21)32(8,9)24(2,3)4)26-23(29)30-17-19-15-13-12-14-16-19/h12-16,18,20-21H,17H2,1-11H3,(H,26,29)/t18-,20+,21+/m0/s1
InChIKeyJJPKWZXUUINBEL-CEWLAPEOSA-N
XLogP5.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.81
LogP ≤ 55.91
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,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate
CID 11826773
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 (2S)-2-[(2S,3S)-2-[(2S)-butan-2-yl]-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-3-yl]oxy-4-methylpentanoate
CID 102123620
benzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyl-4-oxoazetidin-1-yl]acetate
CID 101370654
(4-nitrophenyl)methyl 4-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 57282690
potassium (2S,3S)-2-methyl-4-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-sulfonate
CID 23708792
(3R,4R)-1-benzyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxyazetidin-2-one
CID 155677974
benzyl N-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 140747567
benzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfonyl-4-oxoazetidin-1-yl]-3-methylbut-2-enoate
CID 56610739
methyl 2-methyl-2-[(2S,3S)-2-methyl-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]oxypropanoate
CID 86744081
benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate
CID 176759089

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate (CID 15339572) is benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-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)N1[Si](C)(C)C(C)(C)C.
What is the InChIKey of benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate?
The InChIKey is JJPKWZXUUINBEL-CEWLAPEOSA-N. The full InChI is InChI=1S/C25H44N2O4Si2/c1-18(31-33(10,11)25(5,6)7)21-20(22(28)27(21)32(8,9)24(2,3)4)26-23(29)30-17-19-15-13-12-14-16-19/h12-16,18,20-21H,17H2,1-11H3,(H,26,29)/t18-,20+,21+/m0/s1.
What are the key properties of benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate?
benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate has a molecular weight of 492.81 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 15339572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).