4-amino-3-(furan-2-yl)butanoic acid

C8H11NO3 — CID 15696509

IUPAC4-amino-3-(furan-2-yl)butanoic acid
SMILESNCC(CC(=O)O)c1ccco1
InChIInChI=1S/C8H11NO3/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)
InChIKeyPNVONHQAGBQVCW-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.80
Rot. Bonds4

About 4-amino-3-(furan-2-yl)butanoic acid

4-amino-3-(furan-2-yl)butanoic acid (PubChem CID 15696509) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-amino-3-(furan-2-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-3-(furan-2-yl)butanoic acid
PubChem CID15696509
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name4-amino-3-(furan-2-yl)butanoic acid
SMILESNCC(CC(=O)O)c1ccco1
InChIInChI=1S/C8H11NO3/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11)
InChIKeyPNVONHQAGBQVCW-UHFFFAOYSA-N
XLogP0.80
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(furan-2-yl)butanoic acid?
The IUPAC name of 4-amino-3-(furan-2-yl)butanoic acid (CID 15696509) is 4-amino-3-(furan-2-yl)butanoic acid.
What is the SMILES notation for 4-amino-3-(furan-2-yl)butanoic acid?
The canonical SMILES for 4-amino-3-(furan-2-yl)butanoic acid is NCC(CC(=O)O)c1ccco1.
What is the InChIKey of 4-amino-3-(furan-2-yl)butanoic acid?
The InChIKey is PNVONHQAGBQVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c9-5-6(4-8(10)11)7-2-1-3-12-7/h1-3,6H,4-5,9H2,(H,10,11).
What are the key properties of 4-amino-3-(furan-2-yl)butanoic acid?
4-amino-3-(furan-2-yl)butanoic acid has a molecular weight of 169.18 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(furan-2-yl)butanoic acid is sourced from PubChem (CID 15696509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).