3-(benzhydrylideneamino)oxypropanoic acid

C16H15NO3 — CID 14641207

IUPAC3-(benzhydrylideneamino)oxypropanoic acid
SMILESO=C(O)CCON=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO3/c18-15(19)11-12-20-17-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,19)
InChIKeyMRWBGLBVDBSDLM-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.93
Rot. Bonds6

About 3-(benzhydrylideneamino)oxypropanoic acid

3-(benzhydrylideneamino)oxypropanoic acid (PubChem CID 14641207) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(benzhydrylideneamino)oxypropanoic acid.

Molecular Properties

Compound Name3-(benzhydrylideneamino)oxypropanoic acid
PubChem CID14641207
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-(benzhydrylideneamino)oxypropanoic acid
SMILESO=C(O)CCON=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO3/c18-15(19)11-12-20-17-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,19)
InChIKeyMRWBGLBVDBSDLM-UHFFFAOYSA-N
XLogP2.93
TPSA58.89 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 3-(benzhydrylideneamino)oxypropanoic acid?
The IUPAC name of 3-(benzhydrylideneamino)oxypropanoic acid (CID 14641207) is 3-(benzhydrylideneamino)oxypropanoic acid.
What is the SMILES notation for 3-(benzhydrylideneamino)oxypropanoic acid?
The canonical SMILES for 3-(benzhydrylideneamino)oxypropanoic acid is O=C(O)CCON=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(benzhydrylideneamino)oxypropanoic acid?
The InChIKey is MRWBGLBVDBSDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-15(19)11-12-20-17-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,19).
What are the key properties of 3-(benzhydrylideneamino)oxypropanoic acid?
3-(benzhydrylideneamino)oxypropanoic acid has a molecular weight of 269.30 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzhydrylideneamino)oxypropanoic acid is sourced from PubChem (CID 14641207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).