[1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid

C8H13N5O7S — CID 57168498

IUPAC[1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid
SMILESCNC(=O)N(C)S(=O)(=O)NC(=O)N1CC(NC(=O)O)C1=O
InChIInChI=1S/C8H13N5O7S/c1-9-6(15)12(2)21(19,20)11-7(16)13-3-4(5(13)14)10-8(17)18/h4,10H,3H2,1-2H3,(H,9,15)(H,11,16)(H,17,18)
InChIKeyPPENZMIXBQCHFG-UHFFFAOYSA-N
MW323.29 g/mol
LogP-2.31
Rot. Bonds3

About [1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid

[1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid (PubChem CID 57168498) has the molecular formula C8H13N5O7S and a molecular weight of 323.29 g/mol. Its IUPAC name is [1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid
PubChem CID57168498
Molecular FormulaC8H13N5O7S
Molecular Weight323.29 g/mol
Exact Mass323.05
IUPAC Name[1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid
SMILESCNC(=O)N(C)S(=O)(=O)NC(=O)N1CC(NC(=O)O)C1=O
InChIInChI=1S/C8H13N5O7S/c1-9-6(15)12(2)21(19,20)11-7(16)13-3-4(5(13)14)10-8(17)18/h4,10H,3H2,1-2H3,(H,9,15)(H,11,16)(H,17,18)
InChIKeyPPENZMIXBQCHFG-UHFFFAOYSA-N
XLogP-2.31
TPSA165.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 5-2.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid?
The IUPAC name of [1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid (CID 57168498) is [1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid.
What is the SMILES notation for [1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid?
The canonical SMILES for [1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid is CNC(=O)N(C)S(=O)(=O)NC(=O)N1CC(NC(=O)O)C1=O.
What is the InChIKey of [1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid?
The InChIKey is PPENZMIXBQCHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O7S/c1-9-6(15)12(2)21(19,20)11-7(16)13-3-4(5(13)14)10-8(17)18/h4,10H,3H2,1-2H3,(H,9,15)(H,11,16)(H,17,18).
What are the key properties of [1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid?
[1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid has a molecular weight of 323.29 g/mol, XLogP of -2.31, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid is sourced from PubChem (CID 57168498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).