2-(propan-2-ylsulfamoylamino)oxyacetic acid

C5H12N2O5S — CID 114806219

IUPAC2-(propan-2-ylsulfamoylamino)oxyacetic acid
SMILESCC(C)NS(=O)(=O)NOCC(=O)O
InChIInChI=1S/C5H12N2O5S/c1-4(2)6-13(10,11)7-12-3-5(8)9/h4,6-7H,3H2,1-2H3,(H,8,9)
InChIKeyLHFPGLSECVQSLE-UHFFFAOYSA-N
MW212.23 g/mol
LogP-1.16
Rot. Bonds6

About 2-(propan-2-ylsulfamoylamino)oxyacetic acid

2-(propan-2-ylsulfamoylamino)oxyacetic acid (PubChem CID 114806219) has the molecular formula C5H12N2O5S and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-(propan-2-ylsulfamoylamino)oxyacetic acid.

Molecular Properties

Compound Name2-(propan-2-ylsulfamoylamino)oxyacetic acid
PubChem CID114806219
Molecular FormulaC5H12N2O5S
Molecular Weight212.23 g/mol
Exact Mass212.05
IUPAC Name2-(propan-2-ylsulfamoylamino)oxyacetic acid
SMILESCC(C)NS(=O)(=O)NOCC(=O)O
InChIInChI=1S/C5H12N2O5S/c1-4(2)6-13(10,11)7-12-3-5(8)9/h4,6-7H,3H2,1-2H3,(H,8,9)
InChIKeyLHFPGLSECVQSLE-UHFFFAOYSA-N
XLogP-1.16
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylsulfamoylamino)oxyacetic acid?
The IUPAC name of 2-(propan-2-ylsulfamoylamino)oxyacetic acid (CID 114806219) is 2-(propan-2-ylsulfamoylamino)oxyacetic acid.
What is the SMILES notation for 2-(propan-2-ylsulfamoylamino)oxyacetic acid?
The canonical SMILES for 2-(propan-2-ylsulfamoylamino)oxyacetic acid is CC(C)NS(=O)(=O)NOCC(=O)O.
What is the InChIKey of 2-(propan-2-ylsulfamoylamino)oxyacetic acid?
The InChIKey is LHFPGLSECVQSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O5S/c1-4(2)6-13(10,11)7-12-3-5(8)9/h4,6-7H,3H2,1-2H3,(H,8,9).
What are the key properties of 2-(propan-2-ylsulfamoylamino)oxyacetic acid?
2-(propan-2-ylsulfamoylamino)oxyacetic acid has a molecular weight of 212.23 g/mol, XLogP of -1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfamoylamino)oxyacetic acid is sourced from PubChem (CID 114806219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).