2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid

C17H19NO3 — CID 65056725

IUPAC2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid
SMILESCCC(c1ccccc1O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C17H19NO3/c1-2-15(14-10-6-7-11-16(14)19)18(12-17(20)21)13-8-4-3-5-9-13/h3-11,15,19H,2,12H2,1H3,(H,20,21)
InChIKeyLSYSHQWJRNEJIS-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.43
Rot. Bonds6

About 2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid

2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid (PubChem CID 65056725) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid
PubChem CID65056725
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid
SMILESCCC(c1ccccc1O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C17H19NO3/c1-2-15(14-10-6-7-11-16(14)19)18(12-17(20)21)13-8-4-3-5-9-13/h3-11,15,19H,2,12H2,1H3,(H,20,21)
InChIKeyLSYSHQWJRNEJIS-UHFFFAOYSA-N
XLogP3.43
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.43
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-[1-(4-methylphenyl)propyl]anilino]acetic acid
CID 65059575
2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid
CID 65059146
2-[N-[1-(furan-2-yl)propyl]anilino]acetic acid
CID 65059482
2-[1-(2-hydroxyphenyl)propyl-prop-2-enylamino]acetic acid
CID 79285321
2-[N-[1-(5-fluoro-2-pyridinyl)propyl]anilino]acetic acid
CID 115941688
2-[N-(dihydroxymethyl)anilino]acetic acid
CID 118193516
2-[N-(carboxymethyl)anilino]propanoic acid
CID 66721985
2-[N-(3-methylbutan-2-yl)anilino]acetic acid
CID 65059237
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid
CID 65063433
2-[N-[1-(4-hydroxyphenyl)propan-2-yl]anilino]acetic acid
CID 115496177
2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid
CID 65064982
2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol
CID 82980424

Frequently Asked Questions

What is the IUPAC name of 2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid?
The IUPAC name of 2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid (CID 65056725) is 2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid is CCC(c1ccccc1O)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid?
The InChIKey is LSYSHQWJRNEJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-15(14-10-6-7-11-16(14)19)18(12-17(20)21)13-8-4-3-5-9-13/h3-11,15,19H,2,12H2,1H3,(H,20,21).
What are the key properties of 2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid?
2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid is sourced from PubChem (CID 65056725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).