[(3S)-1-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoimidazolidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]carbamic acid

C14H21N7O10S — CID 54558856

IUPAC[(3S)-1-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoimidazolidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]carbamic acid
SMILESCC(C)(C)OC(=O)NN1CCN(C(=O)NS(=O)(=O)NC(=O)N2C[C@H](NC(=O)O)C2=O)C1=O
InChIInChI=1S/C14H21N7O10S/c1-14(2,3)31-12(27)16-21-5-4-19(13(21)28)9(23)17-32(29,30)18-10(24)20-6-7(8(20)22)15-11(25)26/h7,15H,4-6H2,1-3H3,(H,16,27)(H,17,23)(H,18,24)(H,25,26)/t7-/m0/s1
InChIKeyZPCGVVHACLMODY-ZETCQYMHSA-N
MW479.43 g/mol
LogP-1.69
Rot. Bonds4

About [(3S)-1-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoimidazolidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]carbamic acid

[(3S)-1-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoimidazolidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]carbamic acid (PubChem CID 54558856) has the molecular formula C14H21N7O10S and a molecular weight of 479.43 g/mol. Its IUPAC name is [(3S)-1-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoimidazolidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S)-1-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoimidazolidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]carbamic acid
PubChem CID54558856
Molecular FormulaC14H21N7O10S
Molecular Weight479.43 g/mol
Exact Mass479.11
IUPAC Name[(3S)-1-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoimidazolidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]carbamic acid
SMILESCC(C)(C)OC(=O)NN1CCN(C(=O)NS(=O)(=O)NC(=O)N2C[C@H](NC(=O)O)C2=O)C1=O
InChIInChI=1S/C14H21N7O10S/c1-14(2,3)31-12(27)16-21-5-4-19(13(21)28)9(23)17-32(29,30)18-10(24)20-6-7(8(20)22)15-11(25)26/h7,15H,4-6H2,1-3H3,(H,16,27)(H,17,23)(H,18,24)(H,25,26)/t7-/m0/s1
InChIKeyZPCGVVHACLMODY-ZETCQYMHSA-N
XLogP-1.69
TPSA223.86 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.43
LogP ≤ 5-1.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze [(3S)-1-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoimidazolidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]carbamic acid with MolForge

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Related Compounds

[(3S)-1-(dimethylcarbamoylsulfamoylcarbamoyl)-2-oxoazetidin-3-yl]carbamic acid
CID 54406842
tert-butyl N-[2-[3-[[(3S)-3-carbamoyloxy-2-oxoazetidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoimidazolidin-1-yl]ethyl]carbamate
CID 70539679
tert-butyl N-(2-oxo-3-trimethylsilylimidazolidin-1-yl)carbamate
CID 14278942
2-[carboxymethyl-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazetidine-1-carbonyl]amino]acetic acid
CID 18601852
tert-butyl N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]carbamate
CID 11117423
tert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate
CID 57152882
tert-butyl N-[(3S)-1-(cyclopropanecarbonyl)-2-oxoazepan-3-yl]carbamate
CID 91311843
2-[[2-[[1-(acetylsulfamoylcarbamoyl)-2-oxoazetidin-3-yl]amino]-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
CID 54552918
2-[(Z)-[2-[[1-(acetylsulfamoylcarbamoyl)-2-oxoazetidin-3-yl]amino]-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
CID 18608144
tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate
CID 45092234
methyl (Z)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazetidin-1-yl]-3-phenylprop-2-enoate
CID 102241618
tert-butyl N-[(3S)-1-(dimethylcarbamoyl)-2-oxoazepan-3-yl]carbamate
CID 21101908

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoimidazolidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]carbamic acid?
The IUPAC name of [(3S)-1-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoimidazolidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]carbamic acid (CID 54558856) is [(3S)-1-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoimidazolidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S)-1-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoimidazolidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]carbamic acid?
The canonical SMILES for [(3S)-1-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoimidazolidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]carbamic acid is CC(C)(C)OC(=O)NN1CCN(C(=O)NS(=O)(=O)NC(=O)N2C[C@H](NC(=O)O)C2=O)C1=O.
What is the InChIKey of [(3S)-1-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoimidazolidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]carbamic acid?
The InChIKey is ZPCGVVHACLMODY-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H21N7O10S/c1-14(2,3)31-12(27)16-21-5-4-19(13(21)28)9(23)17-32(29,30)18-10(24)20-6-7(8(20)22)15-11(25)26/h7,15H,4-6H2,1-3H3,(H,16,27)(H,17,23)(H,18,24)(H,25,26)/t7-/m0/s1.
What are the key properties of [(3S)-1-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoimidazolidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]carbamic acid?
[(3S)-1-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoimidazolidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]carbamic acid has a molecular weight of 479.43 g/mol, XLogP of -1.69, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoimidazolidine-1-carbonyl]sulfamoylcarbamoyl]-2-oxoazetidin-3-yl]carbamic acid is sourced from PubChem (CID 54558856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).