tert-butyl N-[1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxysulfonyloxy-2,2-dimethyl-4-oxoazetidin-3-yl]carbamate

C20H34N4O10S — CID 67935922

IUPACtert-butyl N-[1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxysulfonyloxy-2,2-dimethyl-4-oxoazetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1C(=O)N(OS(=O)(=O)ON2C(=O)C(NC(=O)OC(C)(C)C)C2(C)C)C1(C)C
InChIInChI=1S/C20H34N4O10S/c1-17(2,3)31-15(27)21-11-13(25)23(19(11,7)8)33-35(29,30)34-24-14(26)12(20(24,9)10)22-16(28)32-18(4,5)6/h11-12H,1-10H3,(H,21,27)(H,22,28)
InChIKeyUXUGGJAWTWDFJN-UHFFFAOYSA-N
MW522.58 g/mol
LogP1.12
Rot. Bonds6

About tert-butyl N-[1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxysulfonyloxy-2,2-dimethyl-4-oxoazetidin-3-yl]carbamate

tert-butyl N-[1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxysulfonyloxy-2,2-dimethyl-4-oxoazetidin-3-yl]carbamate (PubChem CID 67935922) has the molecular formula C20H34N4O10S and a molecular weight of 522.58 g/mol. Its IUPAC name is tert-butyl N-[1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxysulfonyloxy-2,2-dimethyl-4-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxysulfonyloxy-2,2-dimethyl-4-oxoazetidin-3-yl]carbamate
PubChem CID67935922
Molecular FormulaC20H34N4O10S
Molecular Weight522.58 g/mol
Exact Mass522.20
IUPAC Nametert-butyl N-[1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxysulfonyloxy-2,2-dimethyl-4-oxoazetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1C(=O)N(OS(=O)(=O)ON2C(=O)C(NC(=O)OC(C)(C)C)C2(C)C)C1(C)C
InChIInChI=1S/C20H34N4O10S/c1-17(2,3)31-15(27)21-11-13(25)23(19(11,7)8)33-35(29,30)34-24-14(26)12(20(24,9)10)22-16(28)32-18(4,5)6/h11-12H,1-10H3,(H,21,27)(H,22,28)
InChIKeyUXUGGJAWTWDFJN-UHFFFAOYSA-N
XLogP1.12
TPSA169.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.58
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-[1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxysulfonyloxy-2,2-dimethyl-4-oxoazetidin-3-yl]carbamate with MolForge

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Related Compounds

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CID 87955796
[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl] methanesulfonate
CID 131123206
tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
CID 68911736
tert-butyl N-[(4R)-2-oxo-1-oxaspiro[4.5]decan-4-yl]carbamate
CID 124676210
tert-butyl N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 90701493
tert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate
CID 138113063
tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate
CID 45092234
tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate
CID 39872257
tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate
CID 58735408
tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate
CID 45092180

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxysulfonyloxy-2,2-dimethyl-4-oxoazetidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxysulfonyloxy-2,2-dimethyl-4-oxoazetidin-3-yl]carbamate (CID 67935922) is tert-butyl N-[1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxysulfonyloxy-2,2-dimethyl-4-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxysulfonyloxy-2,2-dimethyl-4-oxoazetidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxysulfonyloxy-2,2-dimethyl-4-oxoazetidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1C(=O)N(OS(=O)(=O)ON2C(=O)C(NC(=O)OC(C)(C)C)C2(C)C)C1(C)C.
What is the InChIKey of tert-butyl N-[1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxysulfonyloxy-2,2-dimethyl-4-oxoazetidin-3-yl]carbamate?
The InChIKey is UXUGGJAWTWDFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O10S/c1-17(2,3)31-15(27)21-11-13(25)23(19(11,7)8)33-35(29,30)34-24-14(26)12(20(24,9)10)22-16(28)32-18(4,5)6/h11-12H,1-10H3,(H,21,27)(H,22,28).
What are the key properties of tert-butyl N-[1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxysulfonyloxy-2,2-dimethyl-4-oxoazetidin-3-yl]carbamate?
tert-butyl N-[1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxysulfonyloxy-2,2-dimethyl-4-oxoazetidin-3-yl]carbamate has a molecular weight of 522.58 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxysulfonyloxy-2,2-dimethyl-4-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 67935922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).