2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid

C17H17NO3 — CID 12642600

IUPAC2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid
SMILESO=C(O)CON=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H17NO3/c19-17(20)13-21-18-16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,20)
InChIKeyYODKBEBASQUEFR-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.93
Rot. Bonds7

About 2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid

2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid (PubChem CID 12642600) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid.

Molecular Properties

Compound Name2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid
PubChem CID12642600
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid
SMILESO=C(O)CON=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H17NO3/c19-17(20)13-21-18-16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,20)
InChIKeyYODKBEBASQUEFR-UHFFFAOYSA-N
XLogP2.93
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-1-phenylbutan-2-ylideneamino]oxyacetic acid
CID 79007723
(4E)-4-hydroxyimino-5-phenylpentanoic acid
CID 6341274
2-[(Z)-[chloro(phenyl)methylidene]amino]oxyacetic acid
CID 139059157
naphthalene;2-phenylacetic acid
CID 174965541
2-phenylacetic acid;silver
CID 50912513
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
chloro hypochlorite;2-phenylacetic acid
CID 174297587
formaldehyde;2-phenylacetic acid
CID 70638018
calcium;hydride;2-phenylacetic acid
CID 173132712
2-[(E)-(3-methyl-3-phenylbutan-2-ylidene)amino]oxyacetic acid
CID 167352407

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid?
The IUPAC name of 2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid (CID 12642600) is 2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid.
What is the SMILES notation for 2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid?
The canonical SMILES for 2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid is O=C(O)CON=C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid?
The InChIKey is YODKBEBASQUEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-17(20)13-21-18-16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,20).
What are the key properties of 2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid?
2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid has a molecular weight of 283.33 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenylpropan-2-ylideneamino)oxyacetic acid is sourced from PubChem (CID 12642600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).