3-(furan-3-carbonylamino)-2-phenylpropanoic acid

C14H13NO4 — CID 62883834

IUPAC3-(furan-3-carbonylamino)-2-phenylpropanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)c1ccoc1
InChIInChI=1S/C14H13NO4/c16-13(11-6-7-19-9-11)15-8-12(14(17)18)10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H,15,16)(H,17,18)
InChIKeyQUHLQCKPWFOEOQ-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.88
Rot. Bonds5

About 3-(furan-3-carbonylamino)-2-phenylpropanoic acid

3-(furan-3-carbonylamino)-2-phenylpropanoic acid (PubChem CID 62883834) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-(furan-3-carbonylamino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(furan-3-carbonylamino)-2-phenylpropanoic acid
PubChem CID62883834
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3-(furan-3-carbonylamino)-2-phenylpropanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)c1ccoc1
InChIInChI=1S/C14H13NO4/c16-13(11-6-7-19-9-11)15-8-12(14(17)18)10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H,15,16)(H,17,18)
InChIKeyQUHLQCKPWFOEOQ-UHFFFAOYSA-N
XLogP1.88
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-carboxy-2-phenylethyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 162349981
3-[(4-iodobenzoyl)amino]-2-phenylpropanoic acid
CID 62883684
N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide
CID 113258885
2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid
CID 102921485
(2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid
CID 30049473
2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120528817
3-[(5-iodothiophene-3-carbonyl)amino]-2-phenylpropanoic acid
CID 79685262
3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883833
3-[(5-bromothiophene-3-carbonyl)amino]-2-phenylpropanoic acid
CID 62884007
N-(2-anilino-3-methylbutyl)furan-3-carboxamide
CID 47142406
(2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid
CID 97081236
N-[2-(methylamino)propyl]furan-3-carboxamide
CID 103512728

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-carbonylamino)-2-phenylpropanoic acid?
The IUPAC name of 3-(furan-3-carbonylamino)-2-phenylpropanoic acid (CID 62883834) is 3-(furan-3-carbonylamino)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(furan-3-carbonylamino)-2-phenylpropanoic acid?
The canonical SMILES for 3-(furan-3-carbonylamino)-2-phenylpropanoic acid is O=C(NCC(C(=O)O)c1ccccc1)c1ccoc1.
What is the InChIKey of 3-(furan-3-carbonylamino)-2-phenylpropanoic acid?
The InChIKey is QUHLQCKPWFOEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-13(11-6-7-19-9-11)15-8-12(14(17)18)10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H,15,16)(H,17,18).
What are the key properties of 3-(furan-3-carbonylamino)-2-phenylpropanoic acid?
3-(furan-3-carbonylamino)-2-phenylpropanoic acid has a molecular weight of 259.26 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-carbonylamino)-2-phenylpropanoic acid is sourced from PubChem (CID 62883834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).