2-aminooxy-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid

C17H15NO5 — CID 67257890

IUPAC2-aminooxy-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid
SMILESNOC(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H15NO5/c18-23-15(16(19)20)17(21)22-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9,18H2,(H,19,20)
InChIKeyGUWWVXJEGTZOKH-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.69
Rot. Bonds5

About 2-aminooxy-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid

2-aminooxy-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid (PubChem CID 67257890) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-aminooxy-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid.

Molecular Properties

Compound Name2-aminooxy-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid
PubChem CID67257890
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name2-aminooxy-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid
SMILESNOC(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H15NO5/c18-23-15(16(19)20)17(21)22-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9,18H2,(H,19,20)
InChIKeyGUWWVXJEGTZOKH-UHFFFAOYSA-N
XLogP1.69
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid?
The IUPAC name of 2-aminooxy-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid (CID 67257890) is 2-aminooxy-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid.
What is the SMILES notation for 2-aminooxy-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid?
The canonical SMILES for 2-aminooxy-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid is NOC(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-aminooxy-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid?
The InChIKey is GUWWVXJEGTZOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c18-23-15(16(19)20)17(21)22-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9,18H2,(H,19,20).
What are the key properties of 2-aminooxy-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid?
2-aminooxy-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid has a molecular weight of 313.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid is sourced from PubChem (CID 67257890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).