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

C7H9NO3 — CID 565849

IUPAC3-amino-3-(furan-2-yl)propanoic acid
SMILESNC(CC(=O)O)c1ccco1
InChIInChI=1S/C7H9NO3/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5H,4,8H2,(H,9,10)
InChIKeyYIKVKIOGYSPIMP-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.75
Rot. Bonds3

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

3-amino-3-(furan-2-yl)propanoic acid (PubChem CID 565849) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-amino-3-(furan-2-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(furan-2-yl)propanoic acid
PubChem CID565849
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-amino-3-(furan-2-yl)propanoic acid
SMILESNC(CC(=O)O)c1ccco1
InChIInChI=1S/C7H9NO3/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5H,4,8H2,(H,9,10)
InChIKeyYIKVKIOGYSPIMP-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(furan-2-yl)propanoic acid?
The IUPAC name of 3-amino-3-(furan-2-yl)propanoic acid (CID 565849) is 3-amino-3-(furan-2-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(furan-2-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(furan-2-yl)propanoic acid is NC(CC(=O)O)c1ccco1.
What is the InChIKey of 3-amino-3-(furan-2-yl)propanoic acid?
The InChIKey is YIKVKIOGYSPIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5H,4,8H2,(H,9,10).
What are the key properties of 3-amino-3-(furan-2-yl)propanoic acid?
3-amino-3-(furan-2-yl)propanoic acid has a molecular weight of 155.15 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(furan-2-yl)propanoic acid is sourced from PubChem (CID 565849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).