2-(1-benzofuran-2-carbonylamino)propanoic acid

C12H11NO4 — CID 3243589

IUPAC2-(1-benzofuran-2-carbonylamino)propanoic acid
SMILESCC(NC(=O)c1cc2ccccc2o1)C(=O)O
InChIInChI=1S/C12H11NO4/c1-7(12(15)16)13-11(14)10-6-8-4-2-3-5-9(8)17-10/h2-7H,1H3,(H,13,14)(H,15,16)
InChIKeyOQIHMMYDSIKJQI-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.64
Rot. Bonds3

About 2-(1-benzofuran-2-carbonylamino)propanoic acid

2-(1-benzofuran-2-carbonylamino)propanoic acid (PubChem CID 3243589) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-(1-benzofuran-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-(1-benzofuran-2-carbonylamino)propanoic acid
PubChem CID3243589
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name2-(1-benzofuran-2-carbonylamino)propanoic acid
SMILESCC(NC(=O)c1cc2ccccc2o1)C(=O)O
InChIInChI=1S/C12H11NO4/c1-7(12(15)16)13-11(14)10-6-8-4-2-3-5-9(8)17-10/h2-7H,1H3,(H,13,14)(H,15,16)
InChIKeyOQIHMMYDSIKJQI-UHFFFAOYSA-N
XLogP1.64
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-carbonylamino)propanoic acid?
The IUPAC name of 2-(1-benzofuran-2-carbonylamino)propanoic acid (CID 3243589) is 2-(1-benzofuran-2-carbonylamino)propanoic acid.
What is the SMILES notation for 2-(1-benzofuran-2-carbonylamino)propanoic acid?
The canonical SMILES for 2-(1-benzofuran-2-carbonylamino)propanoic acid is CC(NC(=O)c1cc2ccccc2o1)C(=O)O.
What is the InChIKey of 2-(1-benzofuran-2-carbonylamino)propanoic acid?
The InChIKey is OQIHMMYDSIKJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-7(12(15)16)13-11(14)10-6-8-4-2-3-5-9(8)17-10/h2-7H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(1-benzofuran-2-carbonylamino)propanoic acid?
2-(1-benzofuran-2-carbonylamino)propanoic acid has a molecular weight of 233.22 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-carbonylamino)propanoic acid is sourced from PubChem (CID 3243589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).