2-(N-benzylanilino)acetic acid

C15H15NO2 — CID 14966963

IUPAC2-(N-benzylanilino)acetic acid
SMILESO=C(O)CN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO2/c17-15(18)12-16(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,17,18)
InChIKeyKUPDILJKKXVBLS-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.78
Rot. Bonds5

About 2-(N-benzylanilino)acetic acid

2-(N-benzylanilino)acetic acid (PubChem CID 14966963) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(N-benzylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-benzylanilino)acetic acid
PubChem CID14966963
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-(N-benzylanilino)acetic acid
SMILESO=C(O)CN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO2/c17-15(18)12-16(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,17,18)
InChIKeyKUPDILJKKXVBLS-UHFFFAOYSA-N
XLogP2.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Glycine, N-acetyl-N-phenyl-
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(4-Methyl-2-oxo-2H-quinolin-1-yl)-acetic acid
CID 268297
2-[(4-Methylphenyl)amino]acetic acid
CID 242236
2-(Dibenzylamino)acetic acid
CID 174082
2,2'-[(3-Methylphenyl)imino]diacetic acid
CID 765166
2-oxo-2-[4-[(Z)-styryl]anilino]acetic acid
CID 156016512
[(2-Mercapto-propionyl)-p-tolyl-amino]-acetic acid
CID 13599151
2-(N,1-diphenylformamido)acetic acid
CID 11021467
2-[Carboxymethyl-[[4-(dimethylamino)phenyl]methyl]amino]-2-oxoacetic acid
CID 44188278
2-[Carboxymethyl-[[3-(dimethylamino)phenyl]methyl]amino]-2-oxoacetic acid
CID 45271607
2-[Carboxymethyl-[3-[4-(dimethylamino)phenyl]propyl]amino]-2-oxoacetic acid
CID 45272507

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzylanilino)acetic acid?
The IUPAC name of 2-(N-benzylanilino)acetic acid (CID 14966963) is 2-(N-benzylanilino)acetic acid.
What is the SMILES notation for 2-(N-benzylanilino)acetic acid?
The canonical SMILES for 2-(N-benzylanilino)acetic acid is O=C(O)CN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(N-benzylanilino)acetic acid?
The InChIKey is KUPDILJKKXVBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-15(18)12-16(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,17,18).
What are the key properties of 2-(N-benzylanilino)acetic acid?
2-(N-benzylanilino)acetic acid has a molecular weight of 241.29 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzylanilino)acetic acid is sourced from PubChem (CID 14966963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).