2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid

C13H13FN2O3 — CID 110835994

IUPAC2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cc1c[nH]c2c(F)cccc12
InChIInChI=1S/C13H13FN2O3/c1-16(7-12(18)19)11(17)5-8-6-15-13-9(8)3-2-4-10(13)14/h2-4,6,15H,5,7H2,1H3,(H,18,19)
InChIKeyJXNCRFKVTQLIJF-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.39
Rot. Bonds4

About 2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid

2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid (PubChem CID 110835994) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid
PubChem CID110835994
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cc1c[nH]c2c(F)cccc12
InChIInChI=1S/C13H13FN2O3/c1-16(7-12(18)19)11(17)5-8-6-15-13-9(8)3-2-4-10(13)14/h2-4,6,15H,5,7H2,1H3,(H,18,19)
InChIKeyJXNCRFKVTQLIJF-UHFFFAOYSA-N
XLogP1.39
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid (CID 110835994) is 2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)Cc1c[nH]c2c(F)cccc12.
What is the InChIKey of 2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid?
The InChIKey is JXNCRFKVTQLIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-16(7-12(18)19)11(17)5-8-6-15-13-9(8)3-2-4-10(13)14/h2-4,6,15H,5,7H2,1H3,(H,18,19).
What are the key properties of 2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid?
2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid has a molecular weight of 264.26 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid is sourced from PubChem (CID 110835994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).