2-(2-acetamido-3H-furan-2-yl)acetic acid

C8H11NO4 — CID 67602325

IUPAC2-(2-acetamido-3H-furan-2-yl)acetic acid
SMILESCC(=O)NC1(CC(=O)O)CC=CO1
InChIInChI=1S/C8H11NO4/c1-6(10)9-8(5-7(11)12)3-2-4-13-8/h2,4H,3,5H2,1H3,(H,9,10)(H,11,12)
InChIKeyNVYWUUHZXBDBOE-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.23
Rot. Bonds3

About 2-(2-acetamido-3H-furan-2-yl)acetic acid

2-(2-acetamido-3H-furan-2-yl)acetic acid (PubChem CID 67602325) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-(2-acetamido-3H-furan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-acetamido-3H-furan-2-yl)acetic acid
PubChem CID67602325
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name2-(2-acetamido-3H-furan-2-yl)acetic acid
SMILESCC(=O)NC1(CC(=O)O)CC=CO1
InChIInChI=1S/C8H11NO4/c1-6(10)9-8(5-7(11)12)3-2-4-13-8/h2,4H,3,5H2,1H3,(H,9,10)(H,11,12)
InChIKeyNVYWUUHZXBDBOE-UHFFFAOYSA-N
XLogP0.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-acetamido-3H-furan-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-3H-furan-2-yl)acetic acid?
The IUPAC name of 2-(2-acetamido-3H-furan-2-yl)acetic acid (CID 67602325) is 2-(2-acetamido-3H-furan-2-yl)acetic acid.
What is the SMILES notation for 2-(2-acetamido-3H-furan-2-yl)acetic acid?
The canonical SMILES for 2-(2-acetamido-3H-furan-2-yl)acetic acid is CC(=O)NC1(CC(=O)O)CC=CO1.
What is the InChIKey of 2-(2-acetamido-3H-furan-2-yl)acetic acid?
The InChIKey is NVYWUUHZXBDBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-6(10)9-8(5-7(11)12)3-2-4-13-8/h2,4H,3,5H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-(2-acetamido-3H-furan-2-yl)acetic acid?
2-(2-acetamido-3H-furan-2-yl)acetic acid has a molecular weight of 185.18 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-3H-furan-2-yl)acetic acid is sourced from PubChem (CID 67602325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).