4-(ethoxycarbonylsulfamoylamino)-3-methoxybutanoic acid

C8H16N2O7S — CID 103153445

IUPAC4-(ethoxycarbonylsulfamoylamino)-3-methoxybutanoic acid
SMILESCCOC(=O)NS(=O)(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C8H16N2O7S/c1-3-17-8(13)10-18(14,15)9-5-6(16-2)4-7(11)12/h6,9H,3-5H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyDCIFEDVVVNWTCB-UHFFFAOYSA-N
MW284.29 g/mol
LogP-0.94
Rot. Bonds8

About 4-(ethoxycarbonylsulfamoylamino)-3-methoxybutanoic acid

4-(ethoxycarbonylsulfamoylamino)-3-methoxybutanoic acid (PubChem CID 103153445) has the molecular formula C8H16N2O7S and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-(ethoxycarbonylsulfamoylamino)-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-(ethoxycarbonylsulfamoylamino)-3-methoxybutanoic acid
PubChem CID103153445
Molecular FormulaC8H16N2O7S
Molecular Weight284.29 g/mol
Exact Mass284.07
IUPAC Name4-(ethoxycarbonylsulfamoylamino)-3-methoxybutanoic acid
SMILESCCOC(=O)NS(=O)(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C8H16N2O7S/c1-3-17-8(13)10-18(14,15)9-5-6(16-2)4-7(11)12/h6,9H,3-5H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyDCIFEDVVVNWTCB-UHFFFAOYSA-N
XLogP-0.94
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxycarbonylsulfamoylamino)-3-methoxybutanoic acid?
The IUPAC name of 4-(ethoxycarbonylsulfamoylamino)-3-methoxybutanoic acid (CID 103153445) is 4-(ethoxycarbonylsulfamoylamino)-3-methoxybutanoic acid.
What is the SMILES notation for 4-(ethoxycarbonylsulfamoylamino)-3-methoxybutanoic acid?
The canonical SMILES for 4-(ethoxycarbonylsulfamoylamino)-3-methoxybutanoic acid is CCOC(=O)NS(=O)(=O)NCC(CC(=O)O)OC.
What is the InChIKey of 4-(ethoxycarbonylsulfamoylamino)-3-methoxybutanoic acid?
The InChIKey is DCIFEDVVVNWTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O7S/c1-3-17-8(13)10-18(14,15)9-5-6(16-2)4-7(11)12/h6,9H,3-5H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 4-(ethoxycarbonylsulfamoylamino)-3-methoxybutanoic acid?
4-(ethoxycarbonylsulfamoylamino)-3-methoxybutanoic acid has a molecular weight of 284.29 g/mol, XLogP of -0.94, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxycarbonylsulfamoylamino)-3-methoxybutanoic acid is sourced from PubChem (CID 103153445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).