3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid

C11H10FNO3 — CID 117319085

IUPAC3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid
SMILESNCC(C(=O)O)c1c(F)ccc2ccoc12
InChIInChI=1S/C11H10FNO3/c12-8-2-1-6-3-4-16-10(6)9(8)7(5-13)11(14)15/h1-4,7H,5,13H2,(H,14,15)
InChIKeyXEAUFLMJHKTLTN-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.70
Rot. Bonds3

About 3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid

3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid (PubChem CID 117319085) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid
PubChem CID117319085
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid
SMILESNCC(C(=O)O)c1c(F)ccc2ccoc12
InChIInChI=1S/C11H10FNO3/c12-8-2-1-6-3-4-16-10(6)9(8)7(5-13)11(14)15/h1-4,7H,5,13H2,(H,14,15)
InChIKeyXEAUFLMJHKTLTN-UHFFFAOYSA-N
XLogP1.70
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(4,6-difluoro-1-benzofuran-7-yl)propanoic acid
CID 117354378
2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine
CID 117283511
methyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate
CID 117321227
bis[2-amino-1-(6-fluoro-1-benzofuran-7-yl)propyl] oxalate
CID 57122066
3-amino-2-(2,6-difluoro-3-hydroxyphenyl)propanoic acid
CID 84785065
3-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid
CID 84679521
3-amino-2-(2,6-difluoro-3-propan-2-ylphenyl)propanoic acid
CID 117359416
3-amino-2-(2-bromo-3-chloro-6-fluorophenyl)propanoic acid
CID 117477821
3-amino-2-(3-fluoro-2-methoxy-6-methylphenyl)propanoic acid
CID 84691052
6-fluoro-1-benzofuran-7-ol
CID 164580528
(6-fluoro-1-benzofuran-7-yl)methanol
CID 117276362
3-amino-2-[2,6-difluoro-3-(methoxymethyl)phenyl]propanoic acid
CID 117364248

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid?
The IUPAC name of 3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid (CID 117319085) is 3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid is NCC(C(=O)O)c1c(F)ccc2ccoc12.
What is the InChIKey of 3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid?
The InChIKey is XEAUFLMJHKTLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-8-2-1-6-3-4-16-10(6)9(8)7(5-13)11(14)15/h1-4,7H,5,13H2,(H,14,15).
What are the key properties of 3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid?
3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid has a molecular weight of 223.20 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid is sourced from PubChem (CID 117319085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).