2-(N-benzoyloxyanilino)acetic acid

C15H13NO4 — CID 174582365

IUPAC2-(N-benzoyloxyanilino)acetic acid
SMILESO=C(O)CN(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO4/c17-14(18)11-16(13-9-5-2-6-10-13)20-15(19)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,18)
InChIKeyKUFLWPRKPGTZLL-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.35
Rot. Bonds5

About 2-(N-benzoyloxyanilino)acetic acid

2-(N-benzoyloxyanilino)acetic acid (PubChem CID 174582365) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-(N-benzoyloxyanilino)acetic acid.

Molecular Properties

Compound Name2-(N-benzoyloxyanilino)acetic acid
PubChem CID174582365
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-(N-benzoyloxyanilino)acetic acid
SMILESO=C(O)CN(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO4/c17-14(18)11-16(13-9-5-2-6-10-13)20-15(19)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,18)
InChIKeyKUFLWPRKPGTZLL-UHFFFAOYSA-N
XLogP2.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.35
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

2-[N-(2,2-dimethylpropoxy)anilino]acetic acid
CID 87223156
(3-acetyloxy-N-ethylanilino) benzoate
CID 174942944
2-(N-sulfanylanilino)acetic acid
CID 87905389
2-(N-octoxyanilino)acetic acid
CID 54571565
benzoyloxy(benzyl)carbamic acid
CID 88793521
[bis(prop-2-enyl)amino] benzoate
CID 11715496
2-[acetyloxy(benzoyl)amino]acetic acid
CID 87378197
[methyl(propyl)amino] benzoate
CID 87875558
argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641
benzoyl benzenecarboperoxoate;hydron
CID 20524010
[4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate
CID 163872416

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzoyloxyanilino)acetic acid?
The IUPAC name of 2-(N-benzoyloxyanilino)acetic acid (CID 174582365) is 2-(N-benzoyloxyanilino)acetic acid.
What is the SMILES notation for 2-(N-benzoyloxyanilino)acetic acid?
The canonical SMILES for 2-(N-benzoyloxyanilino)acetic acid is O=C(O)CN(OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(N-benzoyloxyanilino)acetic acid?
The InChIKey is KUFLWPRKPGTZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-14(18)11-16(13-9-5-2-6-10-13)20-15(19)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,18).
What are the key properties of 2-(N-benzoyloxyanilino)acetic acid?
2-(N-benzoyloxyanilino)acetic acid has a molecular weight of 271.27 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzoyloxyanilino)acetic acid is sourced from PubChem (CID 174582365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).