3-(2-aminofuran-3-yl)propanoic acid

C7H9NO3 — CID 18421237

IUPAC3-(2-aminofuran-3-yl)propanoic acid
SMILESNc1occc1CCC(=O)O
InChIInChI=1S/C7H9NO3/c8-7-5(3-4-11-7)1-2-6(9)10/h3-4H,1-2,8H2,(H,9,10)
InChIKeyCPGMRRHCUJLYBX-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.88
Rot. Bonds3

About 3-(2-aminofuran-3-yl)propanoic acid

3-(2-aminofuran-3-yl)propanoic acid (PubChem CID 18421237) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-(2-aminofuran-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-aminofuran-3-yl)propanoic acid
PubChem CID18421237
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-(2-aminofuran-3-yl)propanoic acid
SMILESNc1occc1CCC(=O)O
InChIInChI=1S/C7H9NO3/c8-7-5(3-4-11-7)1-2-6(9)10/h3-4H,1-2,8H2,(H,9,10)
InChIKeyCPGMRRHCUJLYBX-UHFFFAOYSA-N
XLogP0.88
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminofuran-3-yl)propanoic acid?
The IUPAC name of 3-(2-aminofuran-3-yl)propanoic acid (CID 18421237) is 3-(2-aminofuran-3-yl)propanoic acid.
What is the SMILES notation for 3-(2-aminofuran-3-yl)propanoic acid?
The canonical SMILES for 3-(2-aminofuran-3-yl)propanoic acid is Nc1occc1CCC(=O)O.
What is the InChIKey of 3-(2-aminofuran-3-yl)propanoic acid?
The InChIKey is CPGMRRHCUJLYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c8-7-5(3-4-11-7)1-2-6(9)10/h3-4H,1-2,8H2,(H,9,10).
What are the key properties of 3-(2-aminofuran-3-yl)propanoic acid?
3-(2-aminofuran-3-yl)propanoic acid has a molecular weight of 155.15 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminofuran-3-yl)propanoic acid is sourced from PubChem (CID 18421237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).