2-(benzhydrylamino)oxyacetate

C15H14NO3- — CID 23044529

IUPAC2-(benzhydrylamino)oxyacetate
SMILESO=C([O-])CONC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO3/c17-14(18)11-19-16-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15-16H,11H2,(H,17,18)/p-1
InChIKeyJRXLOGZQSKTJRE-UHFFFAOYSA-M
MW256.28 g/mol
LogP1.05
Rot. Bonds6

About 2-(benzhydrylamino)oxyacetate

2-(benzhydrylamino)oxyacetate (PubChem CID 23044529) has the molecular formula C15H14NO3- and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(benzhydrylamino)oxyacetate.

Molecular Properties

Compound Name2-(benzhydrylamino)oxyacetate
PubChem CID23044529
Molecular FormulaC15H14NO3-
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-(benzhydrylamino)oxyacetate
SMILESO=C([O-])CONC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO3/c17-14(18)11-19-16-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15-16H,11H2,(H,17,18)/p-1
InChIKeyJRXLOGZQSKTJRE-UHFFFAOYSA-M
XLogP1.05
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-phenylethyl]hydroxylamine; oxalic acid
CID 11954986
N-Methoxybenzhydrylamine
CID 12482323
N-(methoxymethoxy)-1,1-diphenylmethanamine
CID 15025161
N-Ethoxybenzhydrylamine
CID 53308549
[(4-Phenylphenyl)methylamino] 2,2,2-trifluoroacetate
CID 57216456
Diphenylmethanamine;2,2,2-trifluoroacetic acid
CID 71505318
N-benzhydrylhydroxylamine;oxalic acid
CID 11197007
N-benzylhydroxylamine;oxalic acid
CID 134994038
1,1-diphenyl-N-propoxymethanamine
CID 134994702
methyl (S)-2-(((1-phenylethyl)amino)oxy)acetate
CID 163358803
(R)-N-(1-Phenylethyl)hydroxylamine oxalate
CID 12482301
2-[(4-Fluorophenyl)methylamino]oxyacetic acid
CID 21947376

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)oxyacetate?
The IUPAC name of 2-(benzhydrylamino)oxyacetate (CID 23044529) is 2-(benzhydrylamino)oxyacetate.
What is the SMILES notation for 2-(benzhydrylamino)oxyacetate?
The canonical SMILES for 2-(benzhydrylamino)oxyacetate is O=C([O-])CONC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydrylamino)oxyacetate?
The InChIKey is JRXLOGZQSKTJRE-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15NO3/c17-14(18)11-19-16-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15-16H,11H2,(H,17,18)/p-1.
What are the key properties of 2-(benzhydrylamino)oxyacetate?
2-(benzhydrylamino)oxyacetate has a molecular weight of 256.28 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)oxyacetate is sourced from PubChem (CID 23044529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).