2-[furan-2-carbonyl(methyl)amino]acetic acid

C8H9NO4 — CID 784792

IUPAC2-[furan-2-carbonyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccco1
InChIInChI=1S/C8H9NO4/c1-9(5-7(10)11)8(12)6-3-2-4-13-6/h2-4H,5H2,1H3,(H,10,11)
InChIKeyXGUIRNHIRGCLJK-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.44
Rot. Bonds3

About 2-[furan-2-carbonyl(methyl)amino]acetic acid

2-[furan-2-carbonyl(methyl)amino]acetic acid (PubChem CID 784792) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-[furan-2-carbonyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[furan-2-carbonyl(methyl)amino]acetic acid
PubChem CID784792
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-[furan-2-carbonyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccco1
InChIInChI=1S/C8H9NO4/c1-9(5-7(10)11)8(12)6-3-2-4-13-6/h2-4H,5H2,1H3,(H,10,11)
InChIKeyXGUIRNHIRGCLJK-UHFFFAOYSA-N
XLogP0.44
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-carbonyl(methyl)amino]acetic acid?
The IUPAC name of 2-[furan-2-carbonyl(methyl)amino]acetic acid (CID 784792) is 2-[furan-2-carbonyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[furan-2-carbonyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[furan-2-carbonyl(methyl)amino]acetic acid is CN(CC(=O)O)C(=O)c1ccco1.
What is the InChIKey of 2-[furan-2-carbonyl(methyl)amino]acetic acid?
The InChIKey is XGUIRNHIRGCLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-9(5-7(10)11)8(12)6-3-2-4-13-6/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of 2-[furan-2-carbonyl(methyl)amino]acetic acid?
2-[furan-2-carbonyl(methyl)amino]acetic acid has a molecular weight of 183.16 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-carbonyl(methyl)amino]acetic acid is sourced from PubChem (CID 784792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).