4-(ethoxycarbonylsulfamoylamino)-2-hydroxybutanoic acid

C7H14N2O7S — CID 107835246

IUPAC4-(ethoxycarbonylsulfamoylamino)-2-hydroxybutanoic acid
SMILESCCOC(=O)NS(=O)(=O)NCCC(O)C(=O)O
InChIInChI=1S/C7H14N2O7S/c1-2-16-7(13)9-17(14,15)8-4-3-5(10)6(11)12/h5,8,10H,2-4H2,1H3,(H,9,13)(H,11,12)
InChIKeyCCXOXOMZZDQSPD-UHFFFAOYSA-N
MW270.26 g/mol
LogP-1.60
Rot. Bonds7

About 4-(ethoxycarbonylsulfamoylamino)-2-hydroxybutanoic acid

4-(ethoxycarbonylsulfamoylamino)-2-hydroxybutanoic acid (PubChem CID 107835246) has the molecular formula C7H14N2O7S and a molecular weight of 270.26 g/mol. Its IUPAC name is 4-(ethoxycarbonylsulfamoylamino)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(ethoxycarbonylsulfamoylamino)-2-hydroxybutanoic acid
PubChem CID107835246
Molecular FormulaC7H14N2O7S
Molecular Weight270.26 g/mol
Exact Mass270.05
IUPAC Name4-(ethoxycarbonylsulfamoylamino)-2-hydroxybutanoic acid
SMILESCCOC(=O)NS(=O)(=O)NCCC(O)C(=O)O
InChIInChI=1S/C7H14N2O7S/c1-2-16-7(13)9-17(14,15)8-4-3-5(10)6(11)12/h5,8,10H,2-4H2,1H3,(H,9,13)(H,11,12)
InChIKeyCCXOXOMZZDQSPD-UHFFFAOYSA-N
XLogP-1.60
TPSA142.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxycarbonylsulfamoylamino)-2-hydroxybutanoic acid?
The IUPAC name of 4-(ethoxycarbonylsulfamoylamino)-2-hydroxybutanoic acid (CID 107835246) is 4-(ethoxycarbonylsulfamoylamino)-2-hydroxybutanoic acid.
What is the SMILES notation for 4-(ethoxycarbonylsulfamoylamino)-2-hydroxybutanoic acid?
The canonical SMILES for 4-(ethoxycarbonylsulfamoylamino)-2-hydroxybutanoic acid is CCOC(=O)NS(=O)(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-(ethoxycarbonylsulfamoylamino)-2-hydroxybutanoic acid?
The InChIKey is CCXOXOMZZDQSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O7S/c1-2-16-7(13)9-17(14,15)8-4-3-5(10)6(11)12/h5,8,10H,2-4H2,1H3,(H,9,13)(H,11,12).
What are the key properties of 4-(ethoxycarbonylsulfamoylamino)-2-hydroxybutanoic acid?
4-(ethoxycarbonylsulfamoylamino)-2-hydroxybutanoic acid has a molecular weight of 270.26 g/mol, XLogP of -1.60, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxycarbonylsulfamoylamino)-2-hydroxybutanoic acid is sourced from PubChem (CID 107835246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).