methyl 4-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)sulfamoyl]butanoate

C11H20N2O5S — CID 66195757

IUPACmethyl 4-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1C(N)C2CCOC21
InChIInChI=1S/C11H20N2O5S/c1-17-8(14)3-2-6-19(15,16)13-10-9(12)7-4-5-18-11(7)10/h7,9-11,13H,2-6,12H2,1H3
InChIKeyPAFJISVCRTXVPR-UHFFFAOYSA-N
MW292.36 g/mol
LogP-1.03
Rot. Bonds6

About methyl 4-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)sulfamoyl]butanoate

methyl 4-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)sulfamoyl]butanoate (PubChem CID 66195757) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is methyl 4-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)sulfamoyl]butanoate
PubChem CID66195757
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Namemethyl 4-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1C(N)C2CCOC21
InChIInChI=1S/C11H20N2O5S/c1-17-8(14)3-2-6-19(15,16)13-10-9(12)7-4-5-18-11(7)10/h7,9-11,13H,2-6,12H2,1H3
InChIKeyPAFJISVCRTXVPR-UHFFFAOYSA-N
XLogP-1.03
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)sulfamoyl]butanoate (CID 66195757) is methyl 4-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NC1C(N)C2CCOC21.
What is the InChIKey of methyl 4-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)sulfamoyl]butanoate?
The InChIKey is PAFJISVCRTXVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-17-8(14)3-2-6-19(15,16)13-10-9(12)7-4-5-18-11(7)10/h7,9-11,13H,2-6,12H2,1H3.
What are the key properties of methyl 4-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)sulfamoyl]butanoate?
methyl 4-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)sulfamoyl]butanoate has a molecular weight of 292.36 g/mol, XLogP of -1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)sulfamoyl]butanoate is sourced from PubChem (CID 66195757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).