[(3S)-2-oxo-1-[(2-oxoimidazolidine-1-carbonyl)sulfamoylcarbamoyl]azetidin-3-yl]carbamic acid

C9H12N6O8S — CID 54280043

IUPAC[(3S)-2-oxo-1-[(2-oxoimidazolidine-1-carbonyl)sulfamoylcarbamoyl]azetidin-3-yl]carbamic acid
SMILESO=C(O)N[C@H]1CN(C(=O)NS(=O)(=O)NC(=O)N2CCNC2=O)C1=O
InChIInChI=1S/C9H12N6O8S/c16-5-4(11-9(20)21)3-15(5)8(19)13-24(22,23)12-7(18)14-2-1-10-6(14)17/h4,11H,1-3H2,(H,10,17)(H,12,18)(H,13,19)(H,20,21)/t4-/m0/s1
InChIKeyRQEHDMRIWDQICO-BYPYZUCNSA-N
MW364.30 g/mol
LogP-2.85
Rot. Bonds3

About [(3S)-2-oxo-1-[(2-oxoimidazolidine-1-carbonyl)sulfamoylcarbamoyl]azetidin-3-yl]carbamic acid

[(3S)-2-oxo-1-[(2-oxoimidazolidine-1-carbonyl)sulfamoylcarbamoyl]azetidin-3-yl]carbamic acid (PubChem CID 54280043) has the molecular formula C9H12N6O8S and a molecular weight of 364.30 g/mol. Its IUPAC name is [(3S)-2-oxo-1-[(2-oxoimidazolidine-1-carbonyl)sulfamoylcarbamoyl]azetidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S)-2-oxo-1-[(2-oxoimidazolidine-1-carbonyl)sulfamoylcarbamoyl]azetidin-3-yl]carbamic acid
PubChem CID54280043
Molecular FormulaC9H12N6O8S
Molecular Weight364.30 g/mol
Exact Mass364.04
IUPAC Name[(3S)-2-oxo-1-[(2-oxoimidazolidine-1-carbonyl)sulfamoylcarbamoyl]azetidin-3-yl]carbamic acid
SMILESO=C(O)N[C@H]1CN(C(=O)NS(=O)(=O)NC(=O)N2CCNC2=O)C1=O
InChIInChI=1S/C9H12N6O8S/c16-5-4(11-9(20)21)3-15(5)8(19)13-24(22,23)12-7(18)14-2-1-10-6(14)17/h4,11H,1-3H2,(H,10,17)(H,12,18)(H,13,19)(H,20,21)/t4-/m0/s1
InChIKeyRQEHDMRIWDQICO-BYPYZUCNSA-N
XLogP-2.85
TPSA194.32 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 5-2.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxo-1-[(2-oxoimidazolidine-1-carbonyl)sulfamoylcarbamoyl]azetidin-3-yl]carbamic acid?
The IUPAC name of [(3S)-2-oxo-1-[(2-oxoimidazolidine-1-carbonyl)sulfamoylcarbamoyl]azetidin-3-yl]carbamic acid (CID 54280043) is [(3S)-2-oxo-1-[(2-oxoimidazolidine-1-carbonyl)sulfamoylcarbamoyl]azetidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S)-2-oxo-1-[(2-oxoimidazolidine-1-carbonyl)sulfamoylcarbamoyl]azetidin-3-yl]carbamic acid?
The canonical SMILES for [(3S)-2-oxo-1-[(2-oxoimidazolidine-1-carbonyl)sulfamoylcarbamoyl]azetidin-3-yl]carbamic acid is O=C(O)N[C@H]1CN(C(=O)NS(=O)(=O)NC(=O)N2CCNC2=O)C1=O.
What is the InChIKey of [(3S)-2-oxo-1-[(2-oxoimidazolidine-1-carbonyl)sulfamoylcarbamoyl]azetidin-3-yl]carbamic acid?
The InChIKey is RQEHDMRIWDQICO-BYPYZUCNSA-N. The full InChI is InChI=1S/C9H12N6O8S/c16-5-4(11-9(20)21)3-15(5)8(19)13-24(22,23)12-7(18)14-2-1-10-6(14)17/h4,11H,1-3H2,(H,10,17)(H,12,18)(H,13,19)(H,20,21)/t4-/m0/s1.
What are the key properties of [(3S)-2-oxo-1-[(2-oxoimidazolidine-1-carbonyl)sulfamoylcarbamoyl]azetidin-3-yl]carbamic acid?
[(3S)-2-oxo-1-[(2-oxoimidazolidine-1-carbonyl)sulfamoylcarbamoyl]azetidin-3-yl]carbamic acid has a molecular weight of 364.30 g/mol, XLogP of -2.85, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxo-1-[(2-oxoimidazolidine-1-carbonyl)sulfamoylcarbamoyl]azetidin-3-yl]carbamic acid is sourced from PubChem (CID 54280043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).