2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid

C16H19BrN2O3 — CID 75117800

IUPAC2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)Cn1ccc2ccc(Br)cc21)C(=O)O
InChIInChI=1S/C16H19BrN2O3/c1-3-10(2)15(16(21)22)18-14(20)9-19-7-6-11-4-5-12(17)8-13(11)19/h4-8,10,15H,3,9H2,1-2H3,(H,18,20)(H,21,22)
InChIKeySTLFENREBKAMPD-UHFFFAOYSA-N
MW367.24 g/mol
LogP3.02
Rot. Bonds6

About 2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid

2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid (PubChem CID 75117800) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid
PubChem CID75117800
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC Name2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)Cn1ccc2ccc(Br)cc21)C(=O)O
InChIInChI=1S/C16H19BrN2O3/c1-3-10(2)15(16(21)22)18-14(20)9-19-7-6-11-4-5-12(17)8-13(11)19/h4-8,10,15H,3,9H2,1-2H3,(H,18,20)(H,21,22)
InChIKeySTLFENREBKAMPD-UHFFFAOYSA-N
XLogP3.02
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(6-bromoindol-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 75117669
2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 116621827
(2S)-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 39310431
(2S,3R)-2-[3-(5-bromoindol-1-yl)propanoylamino]-3-methylpentanoic acid
CID 45490726
2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 90489428
2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide
CID 43308924
1-(6-bromoindol-1-yl)butan-2-one
CID 62039344
2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62023194
(2S,3S)-2-[[2-(4-bromo-2-methylphenyl)acetyl]amino]-3-methylpentanoic acid
CID 120517444
2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40631420
2-[(2-indol-1-ylacetyl)amino]butanoic acid
CID 119223861
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid?
The IUPAC name of 2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid (CID 75117800) is 2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)Cn1ccc2ccc(Br)cc21)C(=O)O.
What is the InChIKey of 2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid?
The InChIKey is STLFENREBKAMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c1-3-10(2)15(16(21)22)18-14(20)9-19-7-6-11-4-5-12(17)8-13(11)19/h4-8,10,15H,3,9H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid?
2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid has a molecular weight of 367.24 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 75117800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).