2-hydroxy-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid

C8H16N2O7S — CID 107835258

IUPAC2-hydroxy-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)NCCC(O)C(=O)O
InChIInChI=1S/C8H16N2O7S/c1-5(2)17-8(14)10-18(15,16)9-4-3-6(11)7(12)13/h5-6,9,11H,3-4H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyVUYKVYDMGLQIDI-UHFFFAOYSA-N
MW284.29 g/mol
LogP-1.21
Rot. Bonds7

About 2-hydroxy-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid

2-hydroxy-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid (PubChem CID 107835258) has the molecular formula C8H16N2O7S and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-hydroxy-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
PubChem CID107835258
Molecular FormulaC8H16N2O7S
Molecular Weight284.29 g/mol
Exact Mass284.07
IUPAC Name2-hydroxy-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)NCCC(O)C(=O)O
InChIInChI=1S/C8H16N2O7S/c1-5(2)17-8(14)10-18(15,16)9-4-3-6(11)7(12)13/h5-6,9,11H,3-4H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyVUYKVYDMGLQIDI-UHFFFAOYSA-N
XLogP-1.21
TPSA142.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid?
The IUPAC name of 2-hydroxy-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid (CID 107835258) is 2-hydroxy-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid.
What is the SMILES notation for 2-hydroxy-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid?
The canonical SMILES for 2-hydroxy-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid is CC(C)OC(=O)NS(=O)(=O)NCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid?
The InChIKey is VUYKVYDMGLQIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O7S/c1-5(2)17-8(14)10-18(15,16)9-4-3-6(11)7(12)13/h5-6,9,11H,3-4H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 2-hydroxy-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid?
2-hydroxy-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid has a molecular weight of 284.29 g/mol, XLogP of -1.21, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid is sourced from PubChem (CID 107835258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).