(2R)-2-amino-6-aminooxysulfonyl-5-oxohexanoic acid

C6H12N2O6S — CID 140547644

IUPAC(2R)-2-amino-6-aminooxysulfonyl-5-oxohexanoic acid
SMILESNOS(=O)(=O)CC(=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C6H12N2O6S/c7-5(6(10)11)2-1-4(9)3-15(12,13)14-8/h5H,1-3,7-8H2,(H,10,11)/t5-/m1/s1
InChIKeyZWURDQJIFYFLCL-RXMQYKEDSA-N
MW240.24 g/mol
LogP-2.03
Rot. Bonds7

About (2R)-2-amino-6-aminooxysulfonyl-5-oxohexanoic acid

(2R)-2-amino-6-aminooxysulfonyl-5-oxohexanoic acid (PubChem CID 140547644) has the molecular formula C6H12N2O6S and a molecular weight of 240.24 g/mol. Its IUPAC name is (2R)-2-amino-6-aminooxysulfonyl-5-oxohexanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-6-aminooxysulfonyl-5-oxohexanoic acid
PubChem CID140547644
Molecular FormulaC6H12N2O6S
Molecular Weight240.24 g/mol
Exact Mass240.04
IUPAC Name(2R)-2-amino-6-aminooxysulfonyl-5-oxohexanoic acid
SMILESNOS(=O)(=O)CC(=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C6H12N2O6S/c7-5(6(10)11)2-1-4(9)3-15(12,13)14-8/h5H,1-3,7-8H2,(H,10,11)/t5-/m1/s1
InChIKeyZWURDQJIFYFLCL-RXMQYKEDSA-N
XLogP-2.03
TPSA149.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 (2R)-2-amino-6-aminooxysulfonyl-5-oxohexanoic acid?
The IUPAC name of (2R)-2-amino-6-aminooxysulfonyl-5-oxohexanoic acid (CID 140547644) is (2R)-2-amino-6-aminooxysulfonyl-5-oxohexanoic acid.
What is the SMILES notation for (2R)-2-amino-6-aminooxysulfonyl-5-oxohexanoic acid?
The canonical SMILES for (2R)-2-amino-6-aminooxysulfonyl-5-oxohexanoic acid is NOS(=O)(=O)CC(=O)CC[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-6-aminooxysulfonyl-5-oxohexanoic acid?
The InChIKey is ZWURDQJIFYFLCL-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12N2O6S/c7-5(6(10)11)2-1-4(9)3-15(12,13)14-8/h5H,1-3,7-8H2,(H,10,11)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-6-aminooxysulfonyl-5-oxohexanoic acid?
(2R)-2-amino-6-aminooxysulfonyl-5-oxohexanoic acid has a molecular weight of 240.24 g/mol, XLogP of -2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-6-aminooxysulfonyl-5-oxohexanoic acid is sourced from PubChem (CID 140547644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).