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

C9H11NO4 — CID 3109777

IUPAC3-acetamido-3-(furan-2-yl)propanoic acid
SMILESCC(=O)NC(CC(=O)O)c1ccco1
InChIInChI=1S/C9H11NO4/c1-6(11)10-7(5-9(12)13)8-3-2-4-14-8/h2-4,7H,5H2,1H3,(H,10,11)(H,12,13)
InChIKeyQAOLEQUBYVTGKF-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.93
Rot. Bonds4

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

3-acetamido-3-(furan-2-yl)propanoic acid (PubChem CID 3109777) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-acetamido-3-(furan-2-yl)propanoic acid.

Molecular Properties

Compound Name3-acetamido-3-(furan-2-yl)propanoic acid
PubChem CID3109777
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name3-acetamido-3-(furan-2-yl)propanoic acid
SMILESCC(=O)NC(CC(=O)O)c1ccco1
InChIInChI=1S/C9H11NO4/c1-6(11)10-7(5-9(12)13)8-3-2-4-14-8/h2-4,7H,5H2,1H3,(H,10,11)(H,12,13)
InChIKeyQAOLEQUBYVTGKF-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(furan-2-yl)propanoic acid?
The IUPAC name of 3-acetamido-3-(furan-2-yl)propanoic acid (CID 3109777) is 3-acetamido-3-(furan-2-yl)propanoic acid.
What is the SMILES notation for 3-acetamido-3-(furan-2-yl)propanoic acid?
The canonical SMILES for 3-acetamido-3-(furan-2-yl)propanoic acid is CC(=O)NC(CC(=O)O)c1ccco1.
What is the InChIKey of 3-acetamido-3-(furan-2-yl)propanoic acid?
The InChIKey is QAOLEQUBYVTGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-6(11)10-7(5-9(12)13)8-3-2-4-14-8/h2-4,7H,5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-acetamido-3-(furan-2-yl)propanoic acid?
3-acetamido-3-(furan-2-yl)propanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(furan-2-yl)propanoic acid is sourced from PubChem (CID 3109777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).