2-[N-[(2-hydroxy-5-methylphenyl)methyl]anilino]acetic acid

C16H17NO3 — CID 65056920

IUPAC2-[N-[(2-hydroxy-5-methylphenyl)methyl]anilino]acetic acid
SMILESCc1ccc(O)c(CN(CC(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H17NO3/c1-12-7-8-15(18)13(9-12)10-17(11-16(19)20)14-5-3-2-4-6-14/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyOWKZEOLSKGKENA-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.79
Rot. Bonds5

About 2-[N-[(2-hydroxy-5-methylphenyl)methyl]anilino]acetic acid

2-[N-[(2-hydroxy-5-methylphenyl)methyl]anilino]acetic acid (PubChem CID 65056920) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[N-[(2-hydroxy-5-methylphenyl)methyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[(2-hydroxy-5-methylphenyl)methyl]anilino]acetic acid
PubChem CID65056920
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[N-[(2-hydroxy-5-methylphenyl)methyl]anilino]acetic acid
SMILESCc1ccc(O)c(CN(CC(=O)O)c2ccccc2)c1
InChIInChI=1S/C16H17NO3/c1-12-7-8-15(18)13(9-12)10-17(11-16(19)20)14-5-3-2-4-6-14/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyOWKZEOLSKGKENA-UHFFFAOYSA-N
XLogP2.79
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[N-[(2,5-dimethylphenyl)methyl]-4-methylanilino]acetic acid
CID 61482196
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
2-[N-[(3,4-dihydroxyphenyl)methyl]anilino]acetic acid
CID 65056826
2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid
CID 65059194
2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid
CID 39368218
2-[4-chloro-N-[(5-fluoro-2-hydroxyphenyl)methyl]anilino]acetic acid
CID 107701771
2-[2-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 154267038
sodium;2-[2-[carboxymethyl-[(2-hydroxy-5-methylphenyl)methyl]amino]ethyl-(2-hydroxyethyl)amino]acetic acid;iron
CID 170846192
2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic acid
CID 114322179
2-[[(2-hydroxy-5-methylphenyl)methyl-pyridin-2-ylamino]methyl]-4-methylphenol
CID 102407523
2-[N-[(5-methylthiophen-2-yl)methyl]anilino]acetic acid
CID 65059622
2-[N-[(4-bromo-2-chlorophenyl)methyl]anilino]acetic acid
CID 104573758

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(2-hydroxy-5-methylphenyl)methyl]anilino]acetic acid?
The IUPAC name of 2-[N-[(2-hydroxy-5-methylphenyl)methyl]anilino]acetic acid (CID 65056920) is 2-[N-[(2-hydroxy-5-methylphenyl)methyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[(2-hydroxy-5-methylphenyl)methyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[(2-hydroxy-5-methylphenyl)methyl]anilino]acetic acid is Cc1ccc(O)c(CN(CC(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-[N-[(2-hydroxy-5-methylphenyl)methyl]anilino]acetic acid?
The InChIKey is OWKZEOLSKGKENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12-7-8-15(18)13(9-12)10-17(11-16(19)20)14-5-3-2-4-6-14/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[N-[(2-hydroxy-5-methylphenyl)methyl]anilino]acetic acid?
2-[N-[(2-hydroxy-5-methylphenyl)methyl]anilino]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(2-hydroxy-5-methylphenyl)methyl]anilino]acetic acid is sourced from PubChem (CID 65056920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).