Propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate

C₈H₁₇NO₆ — CID 89005640

About Propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate

Propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate (PubChem CID 89005640) has the molecular formula C₈H₁₇NO₆ and a molecular weight of 223.22 g/mol. Its IUPAC name is propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate.

Molecular Properties

• Compound Name: Propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate
• PubChem CID: 89005640
• Molecular Formula: C₈H₁₇NO₆
• Molecular Weight: 223.22 g/mol
• Exact Mass: 223.11
• IUPAC Name: propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate
• SMILES: CC(C)OC(=O)COC[C@@H](C)ON(O)O
• InChI: InChI=1S/C8H17NO6/c1-6(2)14-8(10)5-13-4-7(3)15-9(11)12/h6-7,11-12H,4-5H2,1-3H3/t7-/m1/s1
• InChIKey: AWQFEWQTKGAVDD-SSDOTTSWSA-N
• XLogP: 0.36
• TPSA: 88.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	223.22
LogP ≤ 5	0.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate?

The IUPAC name of Propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate (CID 89005640) is propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate.

What is the SMILES notation for Propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate?

The canonical SMILES for Propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate is CC(C)OC(=O)COC[C@@H](C)ON(O)O.

What is the InChIKey of Propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate?

The InChIKey is AWQFEWQTKGAVDD-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO6/c1-6(2)14-8(10)5-13-4-7(3)15-9(11)12/h6-7,11-12H,4-5H2,1-3H3/t7-/m1/s1.

What are the key properties of Propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate?

Propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate has a molecular weight of 223.22 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate is sourced from PubChem (CID 89005640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 89005640 — identifiers, structure, computed properties (public domain)

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