3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid

C15H17FN2O3 — CID 119228796

IUPAC3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)Cc1c[nH]c2cc(F)ccc12)C(=O)O
InChIInChI=1S/C15H17FN2O3/c1-9(15(20)21)8-18(2)14(19)5-10-7-17-13-6-11(16)3-4-12(10)13/h3-4,6-7,9,17H,5,8H2,1-2H3,(H,20,21)
InChIKeyQZAPPVQKXIUUGL-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.03
Rot. Bonds5

About 3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid

3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid (PubChem CID 119228796) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
PubChem CID119228796
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)Cc1c[nH]c2cc(F)ccc12)C(=O)O
InChIInChI=1S/C15H17FN2O3/c1-9(15(20)21)8-18(2)14(19)5-10-7-17-13-6-11(16)3-4-12(10)13/h3-4,6-7,9,17H,5,8H2,1-2H3,(H,20,21)
InChIKeyQZAPPVQKXIUUGL-UHFFFAOYSA-N
XLogP2.03
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-[[2-(2,4-difluorophenyl)acetyl]-methylamino]-2-methylpropanoic acid
CID 124517356
2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide
CID 113209412
2-(6-fluoro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113209385
2-methyl-3-[methyl-[2-(4-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 119228729
N-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide
CID 167803421
(2S)-3-(6-fluoro-1H-indol-3-yl)-2-methoxypropanoic acid
CID 167015185
2-methyl-3-[methyl-[2-(2,4,5-trifluorophenyl)acetyl]amino]propanoic acid
CID 122111592
3-[[2-(4-methoxy-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 120524391
2-(5-fluoro-1H-indol-3-yl)-N-methyl-N-phenylacetamide
CID 110700278
2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide
CID 113209373
3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228708
2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119189734

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid (CID 119228796) is 3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)Cc1c[nH]c2cc(F)ccc12)C(=O)O.
What is the InChIKey of 3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is QZAPPVQKXIUUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-9(15(20)21)8-18(2)14(19)5-10-7-17-13-6-11(16)3-4-12(10)13/h3-4,6-7,9,17H,5,8H2,1-2H3,(H,20,21).
What are the key properties of 3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid?
3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 292.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119228796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).