tert-butyl N-[2-[3-[[(3S)-3-carbamoyloxy-2-oxoazetidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoimidazolidin-1-yl]ethyl]carbamate

C16H25N7O10S — CID 70539679

IUPACtert-butyl N-[2-[3-[[(3S)-3-carbamoyloxy-2-oxoazetidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoimidazolidin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCN(C(=O)NS(=O)(=O)NC(=O)N2C[C@H](OC(N)=O)C2=O)C1=O
InChIInChI=1S/C16H25N7O10S/c1-16(2,3)33-14(28)18-4-5-21-6-7-22(15(21)29)12(26)19-34(30,31)20-13(27)23-8-9(10(23)24)32-11(17)25/h9H,4-8H2,1-3H3,(H2,17,25)(H,18,28)(H,19,26)(H,20,27)/t9-/m0/s1
InChIKeyGXPLJKLWPGKTGX-VIFPVBQESA-N
MW507.48 g/mol
LogP-1.78
Rot. Bonds6

About tert-butyl N-[2-[3-[[(3S)-3-carbamoyloxy-2-oxoazetidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoimidazolidin-1-yl]ethyl]carbamate

tert-butyl N-[2-[3-[[(3S)-3-carbamoyloxy-2-oxoazetidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoimidazolidin-1-yl]ethyl]carbamate (PubChem CID 70539679) has the molecular formula C16H25N7O10S and a molecular weight of 507.48 g/mol. Its IUPAC name is tert-butyl N-[2-[3-[[(3S)-3-carbamoyloxy-2-oxoazetidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoimidazolidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-[[(3S)-3-carbamoyloxy-2-oxoazetidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoimidazolidin-1-yl]ethyl]carbamate
PubChem CID70539679
Molecular FormulaC16H25N7O10S
Molecular Weight507.48 g/mol
Exact Mass507.14
IUPAC Nametert-butyl N-[2-[3-[[(3S)-3-carbamoyloxy-2-oxoazetidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoimidazolidin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCN(C(=O)NS(=O)(=O)NC(=O)N2C[C@H](OC(N)=O)C2=O)C1=O
InChIInChI=1S/C16H25N7O10S/c1-16(2,3)33-14(28)18-4-5-21-6-7-22(15(21)29)12(26)19-34(30,31)20-13(27)23-8-9(10(23)24)32-11(17)25/h9H,4-8H2,1-3H3,(H2,17,25)(H,18,28)(H,19,26)(H,20,27)/t9-/m0/s1
InChIKeyGXPLJKLWPGKTGX-VIFPVBQESA-N
XLogP-1.78
TPSA226.85 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.48
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-[2-[3-[[(3S)-3-carbamoyloxy-2-oxoazetidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoimidazolidin-1-yl]ethyl]carbamate with MolForge

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Related Compounds

[(3S)-1-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoimidazolidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]carbamic acid
CID 54558856
tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate
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tert-butyl N-[3-(4-carbonochloridoyl-2,3-dioxopiperazin-1-yl)propyl]carbamate
CID 153367840
tert-butyl N-[2-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]carbamate
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tert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate
CID 168699074
tert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate
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tert-butyl N-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]carbamate
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tert-butyl 3-(2-hydroxyethyl)-2-oxoimidazolidine-1-carboxylate
CID 23154589
tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-(4-carbonochloridoyl-2,3-dioxopiperazin-1-yl)ethyl]carbamate;ethane-1,2-diamine;ethyl 2-oxopropanoate
CID 158410704
tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
CID 103694373
tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
CID 68676140
tert-butyl N-[2-(2-pyrrolidin-1-ylethylamino)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-[[(3S)-3-carbamoyloxy-2-oxoazetidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoimidazolidin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-[[(3S)-3-carbamoyloxy-2-oxoazetidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoimidazolidin-1-yl]ethyl]carbamate (CID 70539679) is tert-butyl N-[2-[3-[[(3S)-3-carbamoyloxy-2-oxoazetidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoimidazolidin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-[[(3S)-3-carbamoyloxy-2-oxoazetidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoimidazolidin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-[[(3S)-3-carbamoyloxy-2-oxoazetidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoimidazolidin-1-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CCN(C(=O)NS(=O)(=O)NC(=O)N2C[C@H](OC(N)=O)C2=O)C1=O.
What is the InChIKey of tert-butyl N-[2-[3-[[(3S)-3-carbamoyloxy-2-oxoazetidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoimidazolidin-1-yl]ethyl]carbamate?
The InChIKey is GXPLJKLWPGKTGX-VIFPVBQESA-N. The full InChI is InChI=1S/C16H25N7O10S/c1-16(2,3)33-14(28)18-4-5-21-6-7-22(15(21)29)12(26)19-34(30,31)20-13(27)23-8-9(10(23)24)32-11(17)25/h9H,4-8H2,1-3H3,(H2,17,25)(H,18,28)(H,19,26)(H,20,27)/t9-/m0/s1.
What are the key properties of tert-butyl N-[2-[3-[[(3S)-3-carbamoyloxy-2-oxoazetidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoimidazolidin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[3-[[(3S)-3-carbamoyloxy-2-oxoazetidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoimidazolidin-1-yl]ethyl]carbamate has a molecular weight of 507.48 g/mol, XLogP of -1.78, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-[[(3S)-3-carbamoyloxy-2-oxoazetidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoimidazolidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 70539679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).