4-[N-(furan-3-ylmethyl)anilino]butanoic acid

C15H17NO3 — CID 65057027

IUPAC4-[N-(furan-3-ylmethyl)anilino]butanoic acid
SMILESO=C(O)CCCN(Cc1ccoc1)c1ccccc1
InChIInChI=1S/C15H17NO3/c17-15(18)7-4-9-16(11-13-8-10-19-12-13)14-5-2-1-3-6-14/h1-3,5-6,8,10,12H,4,7,9,11H2,(H,17,18)
InChIKeySNNVDLMODXRCDF-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.15
Rot. Bonds7

About 4-[N-(furan-3-ylmethyl)anilino]butanoic acid

4-[N-(furan-3-ylmethyl)anilino]butanoic acid (PubChem CID 65057027) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[N-(furan-3-ylmethyl)anilino]butanoic acid.

Molecular Properties

Compound Name4-[N-(furan-3-ylmethyl)anilino]butanoic acid
PubChem CID65057027
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name4-[N-(furan-3-ylmethyl)anilino]butanoic acid
SMILESO=C(O)CCCN(Cc1ccoc1)c1ccccc1
InChIInChI=1S/C15H17NO3/c17-15(18)7-4-9-16(11-13-8-10-19-12-13)14-5-2-1-3-6-14/h1-3,5-6,8,10,12H,4,7,9,11H2,(H,17,18)
InChIKeySNNVDLMODXRCDF-UHFFFAOYSA-N
XLogP3.15
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid
CID 60839271
4-[N-[(4-iodophenyl)methyl]anilino]butanoic acid
CID 65478869
4-(N-ethylanilino)butanoic acid
CID 11390560
4-[N-(2-aminoethyl)anilino]butanoic acid
CID 63654603
4-[N-(1,3-thiazol-5-ylmethyl)anilino]butanoic acid
CID 112641371
4-[N-(1,2,4-oxadiazol-5-ylmethyl)anilino]butanoic acid
CID 60838258
3-[N-(1,2-oxazol-4-ylmethyl)anilino]propanoic acid
CID 60873648
4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid
CID 60892078
4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid
CID 60838256
2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 61426806
4-(N-chloroanilino)butanoic acid
CID 175293353
3-[N-(3-aminopropyl)anilino]propanoic acid
CID 63654243

Frequently Asked Questions

What is the IUPAC name of 4-[N-(furan-3-ylmethyl)anilino]butanoic acid?
The IUPAC name of 4-[N-(furan-3-ylmethyl)anilino]butanoic acid (CID 65057027) is 4-[N-(furan-3-ylmethyl)anilino]butanoic acid.
What is the SMILES notation for 4-[N-(furan-3-ylmethyl)anilino]butanoic acid?
The canonical SMILES for 4-[N-(furan-3-ylmethyl)anilino]butanoic acid is O=C(O)CCCN(Cc1ccoc1)c1ccccc1.
What is the InChIKey of 4-[N-(furan-3-ylmethyl)anilino]butanoic acid?
The InChIKey is SNNVDLMODXRCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-15(18)7-4-9-16(11-13-8-10-19-12-13)14-5-2-1-3-6-14/h1-3,5-6,8,10,12H,4,7,9,11H2,(H,17,18).
What are the key properties of 4-[N-(furan-3-ylmethyl)anilino]butanoic acid?
4-[N-(furan-3-ylmethyl)anilino]butanoic acid has a molecular weight of 259.31 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(furan-3-ylmethyl)anilino]butanoic acid is sourced from PubChem (CID 65057027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).