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

C14H15FN2O3 — CID 119187887

IUPAC2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Cc1c[nH]c2cc(F)ccc12)C(=O)O
InChIInChI=1S/C14H15FN2O3/c1-14(2,13(19)20)17-12(18)5-8-7-16-11-6-9(15)3-4-10(8)11/h3-4,6-7,16H,5H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyVWIJAYXBHKEUDK-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.83
Rot. Bonds4

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

2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid (PubChem CID 119187887) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
PubChem CID119187887
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Cc1c[nH]c2cc(F)ccc12)C(=O)O
InChIInChI=1S/C14H15FN2O3/c1-14(2,13(19)20)17-12(18)5-8-7-16-11-6-9(15)3-4-10(8)11/h3-4,6-7,16H,5H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyVWIJAYXBHKEUDK-UHFFFAOYSA-N
XLogP1.83
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
CID 119041888
2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide
CID 113209373
2-(6-fluoro-1H-indol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436084
N-[2-(dimethylamino)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209367
ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
CID 172548012
N-(3-acetamidophenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110861296
N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209477
2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide
CID 113209412
2-(6-fluoro-1H-indol-3-yl)-N-piperidin-4-ylacetamide
CID 138004293
2-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278305
methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209461
N-(3-acetylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110861017

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid (CID 119187887) is 2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)Cc1c[nH]c2cc(F)ccc12)C(=O)O.
What is the InChIKey of 2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is VWIJAYXBHKEUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-14(2,13(19)20)17-12(18)5-8-7-16-11-6-9(15)3-4-10(8)11/h3-4,6-7,16H,5H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid?
2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 278.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 119187887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).