2-acetamido-3-(furan-3-yl)propanoic acid

C9H11NO4 — CID 14797112

IUPAC2-acetamido-3-(furan-3-yl)propanoic acid
SMILESCC(=O)NC(Cc1ccoc1)C(=O)O
InChIInChI=1S/C9H11NO4/c1-6(11)10-8(9(12)13)4-7-2-3-14-5-7/h2-3,5,8H,4H2,1H3,(H,10,11)(H,12,13)
InChIKeyJXEIVJXMXCYRDJ-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.41
Rot. Bonds4

About 2-acetamido-3-(furan-3-yl)propanoic acid

2-acetamido-3-(furan-3-yl)propanoic acid (PubChem CID 14797112) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-acetamido-3-(furan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(furan-3-yl)propanoic acid
PubChem CID14797112
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-acetamido-3-(furan-3-yl)propanoic acid
SMILESCC(=O)NC(Cc1ccoc1)C(=O)O
InChIInChI=1S/C9H11NO4/c1-6(11)10-8(9(12)13)4-7-2-3-14-5-7/h2-3,5,8H,4H2,1H3,(H,10,11)(H,12,13)
InChIKeyJXEIVJXMXCYRDJ-UHFFFAOYSA-N
XLogP0.41
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(furan-3-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(furan-3-yl)propanoic acid (CID 14797112) is 2-acetamido-3-(furan-3-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(furan-3-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(furan-3-yl)propanoic acid is CC(=O)NC(Cc1ccoc1)C(=O)O.
What is the InChIKey of 2-acetamido-3-(furan-3-yl)propanoic acid?
The InChIKey is JXEIVJXMXCYRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-6(11)10-8(9(12)13)4-7-2-3-14-5-7/h2-3,5,8H,4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-acetamido-3-(furan-3-yl)propanoic acid?
2-acetamido-3-(furan-3-yl)propanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(furan-3-yl)propanoic acid is sourced from PubChem (CID 14797112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).