2-(furan-2-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid

C14H13NO5 — CID 565567

IUPAC2-(furan-2-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(NC(Cc1ccc(O)cc1)C(=O)O)c1ccco1
InChIInChI=1S/C14H13NO5/c16-10-5-3-9(4-6-10)8-11(14(18)19)15-13(17)12-2-1-7-20-12/h1-7,11,16H,8H2,(H,15,17)(H,18,19)
InChIKeyQUOPBTWUZBWSAF-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.41
Rot. Bonds5

About 2-(furan-2-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid

2-(furan-2-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 565567) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-(furan-2-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(furan-2-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid
PubChem CID565567
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name2-(furan-2-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(NC(Cc1ccc(O)cc1)C(=O)O)c1ccco1
InChIInChI=1S/C14H13NO5/c16-10-5-3-9(4-6-10)8-11(14(18)19)15-13(17)12-2-1-7-20-12/h1-7,11,16H,8H2,(H,15,17)(H,18,19)
InChIKeyQUOPBTWUZBWSAF-UHFFFAOYSA-N
XLogP1.41
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-(furan-2-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid (CID 565567) is 2-(furan-2-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-(furan-2-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-(furan-2-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid is O=C(NC(Cc1ccc(O)cc1)C(=O)O)c1ccco1.
What is the InChIKey of 2-(furan-2-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is QUOPBTWUZBWSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c16-10-5-3-9(4-6-10)8-11(14(18)19)15-13(17)12-2-1-7-20-12/h1-7,11,16H,8H2,(H,15,17)(H,18,19).
What are the key properties of 2-(furan-2-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid?
2-(furan-2-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 275.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 565567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).