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

C7H9NO3 — CID 11040913

IUPAC2-amino-3-(furan-2-yl)propanoic acid
SMILESNC(Cc1ccco1)C(=O)O
InChIInChI=1S/C7H9NO3/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)
InChIKeyRXZQHZDTHUUJQJ-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.23
Rot. Bonds3

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

2-amino-3-(furan-2-yl)propanoic acid (PubChem CID 11040913) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-amino-3-(furan-2-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(furan-2-yl)propanoic acid
PubChem CID11040913
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-amino-3-(furan-2-yl)propanoic acid
SMILESNC(Cc1ccco1)C(=O)O
InChIInChI=1S/C7H9NO3/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)
InChIKeyRXZQHZDTHUUJQJ-UHFFFAOYSA-N
XLogP0.23
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 ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(furan-2-yl)propanoic acid?
The IUPAC name of 2-amino-3-(furan-2-yl)propanoic acid (CID 11040913) is 2-amino-3-(furan-2-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(furan-2-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(furan-2-yl)propanoic acid is NC(Cc1ccco1)C(=O)O.
What is the InChIKey of 2-amino-3-(furan-2-yl)propanoic acid?
The InChIKey is RXZQHZDTHUUJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10).
What are the key properties of 2-amino-3-(furan-2-yl)propanoic acid?
2-amino-3-(furan-2-yl)propanoic acid has a molecular weight of 155.15 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-amino-3-(furan-2-yl)propanoic acid is sourced from PubChem (CID 11040913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).