2-amino-3-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid

C11H12FNO3 — CID 117322838

IUPAC2-amino-3-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
SMILESNC(Cc1cc2c(cc1F)OCC2)C(=O)O
InChIInChI=1S/C11H12FNO3/c12-8-5-10-6(1-2-16-10)3-7(8)4-9(13)11(14)15/h3,5,9H,1-2,4,13H2,(H,14,15)
InChIKeyOFRURRZOVVDILH-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.71
Rot. Bonds3

About 2-amino-3-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid

2-amino-3-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid (PubChem CID 117322838) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-amino-3-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
PubChem CID117322838
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name2-amino-3-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
SMILESNC(Cc1cc2c(cc1F)OCC2)C(=O)O
InChIInChI=1S/C11H12FNO3/c12-8-5-10-6(1-2-16-10)3-7(8)4-9(13)11(14)15/h3,5,9H,1-2,4,13H2,(H,14,15)
InChIKeyOFRURRZOVVDILH-UHFFFAOYSA-N
XLogP0.71
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(7-fluoro-1-hydroxy-3,4-dihydro-2,5,1-benzodioxaborepin-8-yl)propanoic acid
CID 177167869
1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one
CID 117284367
(2S)-2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 62717626
(2S)-2-amino-3-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]propanoic acid
CID 172529875
2-amino-3-(2,5-difluoro-4-methylsulfanylphenyl)propanoic acid
CID 117370022
2-amino-3-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 117381037
6-fluoro-5-(isocyanatomethyl)-2,3-dihydro-1-benzofuran
CID 117283360
2-amino-3-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propanoic acid
CID 117435269
2-amino-3-[7-(fluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propanoic acid
CID 117390651
2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 14211589
(2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid
CID 130612428
2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 19098396

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid (CID 117322838) is 2-amino-3-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid is NC(Cc1cc2c(cc1F)OCC2)C(=O)O.
What is the InChIKey of 2-amino-3-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid?
The InChIKey is OFRURRZOVVDILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-8-5-10-6(1-2-16-10)3-7(8)4-9(13)11(14)15/h3,5,9H,1-2,4,13H2,(H,14,15).
What are the key properties of 2-amino-3-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid?
2-amino-3-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid has a molecular weight of 225.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid is sourced from PubChem (CID 117322838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).