2-amino-2-(6-fluoro-2-methyl-1-benzothiophen-3-yl)acetic acid

C11H10FNO2S — CID 115073043

IUPAC2-amino-2-(6-fluoro-2-methyl-1-benzothiophen-3-yl)acetic acid
SMILESCc1sc2cc(F)ccc2c1C(N)C(=O)O
InChIInChI=1S/C11H10FNO2S/c1-5-9(10(13)11(14)15)7-3-2-6(12)4-8(7)16-5/h2-4,10H,13H2,1H3,(H,14,15)
InChIKeyNKRXOFRYKSGQGL-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.43
Rot. Bonds2

About 2-amino-2-(6-fluoro-2-methyl-1-benzothiophen-3-yl)acetic acid

2-amino-2-(6-fluoro-2-methyl-1-benzothiophen-3-yl)acetic acid (PubChem CID 115073043) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-amino-2-(6-fluoro-2-methyl-1-benzothiophen-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(6-fluoro-2-methyl-1-benzothiophen-3-yl)acetic acid
PubChem CID115073043
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name2-amino-2-(6-fluoro-2-methyl-1-benzothiophen-3-yl)acetic acid
SMILESCc1sc2cc(F)ccc2c1C(N)C(=O)O
InChIInChI=1S/C11H10FNO2S/c1-5-9(10(13)11(14)15)7-3-2-6(12)4-8(7)16-5/h2-4,10H,13H2,1H3,(H,14,15)
InChIKeyNKRXOFRYKSGQGL-UHFFFAOYSA-N
XLogP2.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-fluoro-2-methyl-1-benzothiophen-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(6-fluoro-2-methyl-1-benzothiophen-3-yl)acetic acid (CID 115073043) is 2-amino-2-(6-fluoro-2-methyl-1-benzothiophen-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(6-fluoro-2-methyl-1-benzothiophen-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(6-fluoro-2-methyl-1-benzothiophen-3-yl)acetic acid is Cc1sc2cc(F)ccc2c1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(6-fluoro-2-methyl-1-benzothiophen-3-yl)acetic acid?
The InChIKey is NKRXOFRYKSGQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c1-5-9(10(13)11(14)15)7-3-2-6(12)4-8(7)16-5/h2-4,10H,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-(6-fluoro-2-methyl-1-benzothiophen-3-yl)acetic acid?
2-amino-2-(6-fluoro-2-methyl-1-benzothiophen-3-yl)acetic acid has a molecular weight of 239.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-fluoro-2-methyl-1-benzothiophen-3-yl)acetic acid is sourced from PubChem (CID 115073043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).