3-methoxy-4-(methoxycarbonylsulfamoylamino)butanoic acid

C7H14N2O7S — CID 103153464

IUPAC3-methoxy-4-(methoxycarbonylsulfamoylamino)butanoic acid
SMILESCOC(=O)NS(=O)(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C7H14N2O7S/c1-15-5(3-6(10)11)4-8-17(13,14)9-7(12)16-2/h5,8H,3-4H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyAUTGVDQSOWBDMG-UHFFFAOYSA-N
MW270.26 g/mol
LogP-1.33
Rot. Bonds7

About 3-methoxy-4-(methoxycarbonylsulfamoylamino)butanoic acid

3-methoxy-4-(methoxycarbonylsulfamoylamino)butanoic acid (PubChem CID 103153464) has the molecular formula C7H14N2O7S and a molecular weight of 270.26 g/mol. Its IUPAC name is 3-methoxy-4-(methoxycarbonylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-(methoxycarbonylsulfamoylamino)butanoic acid
PubChem CID103153464
Molecular FormulaC7H14N2O7S
Molecular Weight270.26 g/mol
Exact Mass270.05
IUPAC Name3-methoxy-4-(methoxycarbonylsulfamoylamino)butanoic acid
SMILESCOC(=O)NS(=O)(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C7H14N2O7S/c1-15-5(3-6(10)11)4-8-17(13,14)9-7(12)16-2/h5,8H,3-4H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyAUTGVDQSOWBDMG-UHFFFAOYSA-N
XLogP-1.33
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(methoxycarbonylsulfamoylamino)butanoic acid?
The IUPAC name of 3-methoxy-4-(methoxycarbonylsulfamoylamino)butanoic acid (CID 103153464) is 3-methoxy-4-(methoxycarbonylsulfamoylamino)butanoic acid.
What is the SMILES notation for 3-methoxy-4-(methoxycarbonylsulfamoylamino)butanoic acid?
The canonical SMILES for 3-methoxy-4-(methoxycarbonylsulfamoylamino)butanoic acid is COC(=O)NS(=O)(=O)NCC(CC(=O)O)OC.
What is the InChIKey of 3-methoxy-4-(methoxycarbonylsulfamoylamino)butanoic acid?
The InChIKey is AUTGVDQSOWBDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O7S/c1-15-5(3-6(10)11)4-8-17(13,14)9-7(12)16-2/h5,8H,3-4H2,1-2H3,(H,9,12)(H,10,11).
What are the key properties of 3-methoxy-4-(methoxycarbonylsulfamoylamino)butanoic acid?
3-methoxy-4-(methoxycarbonylsulfamoylamino)butanoic acid has a molecular weight of 270.26 g/mol, XLogP of -1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(methoxycarbonylsulfamoylamino)butanoic acid is sourced from PubChem (CID 103153464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).