2-[(3-oxo-1-benzofuran-2-yl)amino]acetic acid

C10H9NO4 — CID 162972312

IUPAC2-[(3-oxo-1-benzofuran-2-yl)amino]acetic acid
SMILESO=C(O)CNC1Oc2ccccc2C1=O
InChIInChI=1S/C10H9NO4/c12-8(13)5-11-10-9(14)6-3-1-2-4-7(6)15-10/h1-4,10-11H,5H2,(H,12,13)
InChIKeyFEJIEYFUGMRNBQ-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.26
Rot. Bonds3

About 2-[(3-oxo-1-benzofuran-2-yl)amino]acetic acid

2-[(3-oxo-1-benzofuran-2-yl)amino]acetic acid (PubChem CID 162972312) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-[(3-oxo-1-benzofuran-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-oxo-1-benzofuran-2-yl)amino]acetic acid
PubChem CID162972312
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name2-[(3-oxo-1-benzofuran-2-yl)amino]acetic acid
SMILESO=C(O)CNC1Oc2ccccc2C1=O
InChIInChI=1S/C10H9NO4/c12-8(13)5-11-10-9(14)6-3-1-2-4-7(6)15-10/h1-4,10-11H,5H2,(H,12,13)
InChIKeyFEJIEYFUGMRNBQ-UHFFFAOYSA-N
XLogP0.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-1-benzofuran-2-yl)amino]acetic acid?
The IUPAC name of 2-[(3-oxo-1-benzofuran-2-yl)amino]acetic acid (CID 162972312) is 2-[(3-oxo-1-benzofuran-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(3-oxo-1-benzofuran-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(3-oxo-1-benzofuran-2-yl)amino]acetic acid is O=C(O)CNC1Oc2ccccc2C1=O.
What is the InChIKey of 2-[(3-oxo-1-benzofuran-2-yl)amino]acetic acid?
The InChIKey is FEJIEYFUGMRNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c12-8(13)5-11-10-9(14)6-3-1-2-4-7(6)15-10/h1-4,10-11H,5H2,(H,12,13).
What are the key properties of 2-[(3-oxo-1-benzofuran-2-yl)amino]acetic acid?
2-[(3-oxo-1-benzofuran-2-yl)amino]acetic acid has a molecular weight of 207.19 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-1-benzofuran-2-yl)amino]acetic acid is sourced from PubChem (CID 162972312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).