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

C15H17NO3 — CID 65059482

IUPAC2-[N-[1-(furan-2-yl)propyl]anilino]acetic acid
SMILESCCC(c1ccco1)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H17NO3/c1-2-13(14-9-6-10-19-14)16(11-15(17)18)12-7-4-3-5-8-12/h3-10,13H,2,11H2,1H3,(H,17,18)
InChIKeyKDFDVKVVAGFFOJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.32
Rot. Bonds6

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

2-[N-[1-(furan-2-yl)propyl]anilino]acetic acid (PubChem CID 65059482) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[N-[1-(furan-2-yl)propyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[1-(furan-2-yl)propyl]anilino]acetic acid
PubChem CID65059482
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-[N-[1-(furan-2-yl)propyl]anilino]acetic acid
SMILESCCC(c1ccco1)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H17NO3/c1-2-13(14-9-6-10-19-14)16(11-15(17)18)12-7-4-3-5-8-12/h3-10,13H,2,11H2,1H3,(H,17,18)
InChIKeyKDFDVKVVAGFFOJ-UHFFFAOYSA-N
XLogP3.32
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-[1-(2-hydroxyphenyl)propyl]anilino]acetic acid
CID 65056725
2-[N-[1-(4-methylphenyl)propyl]anilino]acetic acid
CID 65059575
2-[cyclopropyl-[1-(furan-2-yl)propyl]amino]acetic acid
CID 65057867
2-[N-[1-(furan-2-yl)ethyl]-4-methylanilino]acetic acid
CID 65059021
2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid
CID 65059146
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-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid
CID 83380917
2-[1-[1-(furan-2-yl)propyl-methylamino]cyclohexyl]acetic acid
CID 65240981
2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid
CID 55246325

Frequently Asked Questions

What is the IUPAC name of 2-[N-[1-(furan-2-yl)propyl]anilino]acetic acid?
The IUPAC name of 2-[N-[1-(furan-2-yl)propyl]anilino]acetic acid (CID 65059482) is 2-[N-[1-(furan-2-yl)propyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[1-(furan-2-yl)propyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[1-(furan-2-yl)propyl]anilino]acetic acid is CCC(c1ccco1)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[N-[1-(furan-2-yl)propyl]anilino]acetic acid?
The InChIKey is KDFDVKVVAGFFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-13(14-9-6-10-19-14)16(11-15(17)18)12-7-4-3-5-8-12/h3-10,13H,2,11H2,1H3,(H,17,18).
What are the key properties of 2-[N-[1-(furan-2-yl)propyl]anilino]acetic acid?
2-[N-[1-(furan-2-yl)propyl]anilino]acetic acid has a molecular weight of 259.31 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[1-(furan-2-yl)propyl]anilino]acetic acid is sourced from PubChem (CID 65059482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).