2-[1-(3-phenylphenyl)ethenylamino]oxyacetic acid

C16H15NO3 — CID 91449692

IUPAC2-[1-(3-phenylphenyl)ethenylamino]oxyacetic acid
SMILESC=C(NOCC(=O)O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H15NO3/c1-12(17-20-11-16(18)19)14-8-5-9-15(10-14)13-6-3-2-4-7-13/h2-10,17H,1,11H2,(H,18,19)
InChIKeyQVOUFDQZCUHIQF-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.93
Rot. Bonds6

About 2-[1-(3-phenylphenyl)ethenylamino]oxyacetic acid

2-[1-(3-phenylphenyl)ethenylamino]oxyacetic acid (PubChem CID 91449692) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[1-(3-phenylphenyl)ethenylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-phenylphenyl)ethenylamino]oxyacetic acid
PubChem CID91449692
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-[1-(3-phenylphenyl)ethenylamino]oxyacetic acid
SMILESC=C(NOCC(=O)O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H15NO3/c1-12(17-20-11-16(18)19)14-8-5-9-15(10-14)13-6-3-2-4-7-13/h2-10,17H,1,11H2,(H,18,19)
InChIKeyQVOUFDQZCUHIQF-UHFFFAOYSA-N
XLogP2.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzhydrylhydroxylamine;oxalic acid
CID 11197007
2-(Benzhydrylamino)oxyacetic acid
CID 23044530
2-[1-(4-Phenylphenyl)ethenylamino]oxyethanol
CID 57184064
2-[1-[4-(4-Methylphenyl)phenyl]ethenylamino]oxyethanol
CID 57280057
2-[1-(3-Phenylphenyl)ethenylamino]oxyethanol
CID 57291011
2-[1-(4-Phenylphenyl)prop-1-enylamino]oxyethanol
CID 57315445
2-(Tritylamino)oxyacetic acid
CID 85538735
2-(2,6-Dimethylanilino)oxyacetic acid
CID 154635877
2-[1-(4-Methylphenyl)ethenylamino]oxyacetic acid
CID 2308496
2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetate
CID 2400443
2-[[(4aR)-4aH-fluoren-9-yl]amino]oxyacetic acid
CID 2400444
2-(Benzhydrylamino)oxyacetate
CID 23044529

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-phenylphenyl)ethenylamino]oxyacetic acid?
The IUPAC name of 2-[1-(3-phenylphenyl)ethenylamino]oxyacetic acid (CID 91449692) is 2-[1-(3-phenylphenyl)ethenylamino]oxyacetic acid.
What is the SMILES notation for 2-[1-(3-phenylphenyl)ethenylamino]oxyacetic acid?
The canonical SMILES for 2-[1-(3-phenylphenyl)ethenylamino]oxyacetic acid is C=C(NOCC(=O)O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-[1-(3-phenylphenyl)ethenylamino]oxyacetic acid?
The InChIKey is QVOUFDQZCUHIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-12(17-20-11-16(18)19)14-8-5-9-15(10-14)13-6-3-2-4-7-13/h2-10,17H,1,11H2,(H,18,19).
What are the key properties of 2-[1-(3-phenylphenyl)ethenylamino]oxyacetic acid?
2-[1-(3-phenylphenyl)ethenylamino]oxyacetic acid has a molecular weight of 269.30 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-phenylphenyl)ethenylamino]oxyacetic acid is sourced from PubChem (CID 91449692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).