3-[N-(furan-2-carbonyl)anilino]propanoic acid

C14H13NO4 — CID 28764053

IUPAC3-[N-(furan-2-carbonyl)anilino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C14H13NO4/c16-13(17)8-9-15(11-5-2-1-3-6-11)14(18)12-7-4-10-19-12/h1-7,10H,8-9H2,(H,16,17)
InChIKeyWDMLPLUXEXVYEY-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.40
Rot. Bonds5

About 3-[N-(furan-2-carbonyl)anilino]propanoic acid

3-[N-(furan-2-carbonyl)anilino]propanoic acid (PubChem CID 28764053) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-[N-(furan-2-carbonyl)anilino]propanoic acid.

Molecular Properties

Compound Name3-[N-(furan-2-carbonyl)anilino]propanoic acid
PubChem CID28764053
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3-[N-(furan-2-carbonyl)anilino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C14H13NO4/c16-13(17)8-9-15(11-5-2-1-3-6-11)14(18)12-7-4-10-19-12/h1-7,10H,8-9H2,(H,16,17)
InChIKeyWDMLPLUXEXVYEY-UHFFFAOYSA-N
XLogP2.40
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-(furan-2-carbonyl)-3,4-dimethylanilino]propanoic acid
CID 82321480
3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid
CID 82324378
2-[3-[benzyl(furan-2-carbonyl)amino]phenyl]acetic acid
CID 42859169
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylfuran-2-carboxamide
CID 4265825
N-[2-(benzenesulfonamido)ethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 42708667
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46045761
N-(2-aminoethyl)-N-(4-ethylphenyl)furan-2-carboxamide
CID 28770064
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N,N-dibenzylfuran-2-carboxamide
CID 762503
N-benzyl-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]furan-2-carboxamide
CID 46056418
N-(2-aminoethyl)-N-(3-fluorophenyl)furan-2-carboxamide
CID 28769132
N-[3-[(2,2-dichloroacetyl)amino]propyl]-N-(4-phenoxyphenyl)furan-2-carboxamide
CID 42726275

Frequently Asked Questions

What is the IUPAC name of 3-[N-(furan-2-carbonyl)anilino]propanoic acid?
The IUPAC name of 3-[N-(furan-2-carbonyl)anilino]propanoic acid (CID 28764053) is 3-[N-(furan-2-carbonyl)anilino]propanoic acid.
What is the SMILES notation for 3-[N-(furan-2-carbonyl)anilino]propanoic acid?
The canonical SMILES for 3-[N-(furan-2-carbonyl)anilino]propanoic acid is O=C(O)CCN(C(=O)c1ccco1)c1ccccc1.
What is the InChIKey of 3-[N-(furan-2-carbonyl)anilino]propanoic acid?
The InChIKey is WDMLPLUXEXVYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-13(17)8-9-15(11-5-2-1-3-6-11)14(18)12-7-4-10-19-12/h1-7,10H,8-9H2,(H,16,17).
What are the key properties of 3-[N-(furan-2-carbonyl)anilino]propanoic acid?
3-[N-(furan-2-carbonyl)anilino]propanoic acid has a molecular weight of 259.26 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(furan-2-carbonyl)anilino]propanoic acid is sourced from PubChem (CID 28764053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).