2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid

C13H13FN2O3 — CID 110835783

IUPAC2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cc2c(F)cccc2n1C
InChIInChI=1S/C13H13FN2O3/c1-15(7-12(17)18)13(19)11-6-8-9(14)4-3-5-10(8)16(11)2/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyRLTBURPMCODKJI-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.47
Rot. Bonds3

About 2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid

2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid (PubChem CID 110835783) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid
PubChem CID110835783
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cc2c(F)cccc2n1C
InChIInChI=1S/C13H13FN2O3/c1-15(7-12(17)18)13(19)11-6-8-9(14)4-3-5-10(8)16(11)2/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyRLTBURPMCODKJI-UHFFFAOYSA-N
XLogP1.47
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid (CID 110835783) is 2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)c1cc2c(F)cccc2n1C.
What is the InChIKey of 2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid?
The InChIKey is RLTBURPMCODKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-15(7-12(17)18)13(19)11-6-8-9(14)4-3-5-10(8)16(11)2/h3-6H,7H2,1-2H3,(H,17,18).
What are the key properties of 2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid?
2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid has a molecular weight of 264.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 110835783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).