oxalic acid;N-(2-phenylethyl)hydroxylamine

C10H13NO5 — CID 23635708

IUPACoxalic acid;N-(2-phenylethyl)hydroxylamine
SMILESO=C(O)C(=O)O.ONCCc1ccccc1
InChIInChI=1S/C8H11NO.C2H2O4/c10-9-7-6-8-4-2-1-3-5-8;3-1(4)2(5)6/h1-5,9-10H,6-7H2;(H,3,4)(H,5,6)
InChIKeyFNRABLXQLNWSOG-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.36
Rot. Bonds3

About oxalic acid;N-(2-phenylethyl)hydroxylamine

oxalic acid;N-(2-phenylethyl)hydroxylamine (PubChem CID 23635708) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is oxalic acid;N-(2-phenylethyl)hydroxylamine.

Molecular Properties

Compound Nameoxalic acid;N-(2-phenylethyl)hydroxylamine
PubChem CID23635708
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Nameoxalic acid;N-(2-phenylethyl)hydroxylamine
SMILESO=C(O)C(=O)O.ONCCc1ccccc1
InChIInChI=1S/C8H11NO.C2H2O4/c10-9-7-6-8-4-2-1-3-5-8;3-1(4)2(5)6/h1-5,9-10H,6-7H2;(H,3,4)(H,5,6)
InChIKeyFNRABLXQLNWSOG-UHFFFAOYSA-N
XLogP0.36
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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 oxalic acid;N-(2-phenylethyl)hydroxylamine?
The IUPAC name of oxalic acid;N-(2-phenylethyl)hydroxylamine (CID 23635708) is oxalic acid;N-(2-phenylethyl)hydroxylamine.
What is the SMILES notation for oxalic acid;N-(2-phenylethyl)hydroxylamine?
The canonical SMILES for oxalic acid;N-(2-phenylethyl)hydroxylamine is O=C(O)C(=O)O.ONCCc1ccccc1.
What is the InChIKey of oxalic acid;N-(2-phenylethyl)hydroxylamine?
The InChIKey is FNRABLXQLNWSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C2H2O4/c10-9-7-6-8-4-2-1-3-5-8;3-1(4)2(5)6/h1-5,9-10H,6-7H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-(2-phenylethyl)hydroxylamine?
oxalic acid;N-(2-phenylethyl)hydroxylamine has a molecular weight of 227.22 g/mol, XLogP of 0.36, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-(2-phenylethyl)hydroxylamine is sourced from PubChem (CID 23635708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).