2-[(2-indol-1-ylacetyl)amino]butanoic acid

C14H16N2O3 — CID 119223861

IUPAC2-[(2-indol-1-ylacetyl)amino]butanoic acid
SMILESCCC(NC(=O)Cn1ccc2ccccc21)C(=O)O
InChIInChI=1S/C14H16N2O3/c1-2-11(14(18)19)15-13(17)9-16-8-7-10-5-3-4-6-12(10)16/h3-8,11H,2,9H2,1H3,(H,15,17)(H,18,19)
InChIKeyTZFWITUXCLJQJU-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.62
Rot. Bonds5

About 2-[(2-indol-1-ylacetyl)amino]butanoic acid

2-[(2-indol-1-ylacetyl)amino]butanoic acid (PubChem CID 119223861) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(2-indol-1-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(2-indol-1-ylacetyl)amino]butanoic acid
PubChem CID119223861
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[(2-indol-1-ylacetyl)amino]butanoic acid
SMILESCCC(NC(=O)Cn1ccc2ccccc21)C(=O)O
InChIInChI=1S/C14H16N2O3/c1-2-11(14(18)19)15-13(17)9-16-8-7-10-5-3-4-6-12(10)16/h3-8,11H,2,9H2,1H3,(H,15,17)(H,18,19)
InChIKeyTZFWITUXCLJQJU-UHFFFAOYSA-N
XLogP1.62
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-indol-1-ylacetyl)amino]-4-methylsulfanylbutanoic acid
CID 56920071
(2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid
CID 45491721
2-indol-1-yl-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
CID 91829109
3-[(2-indol-1-ylacetyl)amino]-3-(3-methylphenyl)propanoic acid
CID 166319506
2-indol-1-yl-N-[(1R)-1-(oxan-4-yl)propyl]acetamide
CID 95784949
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
(2R)-2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 95118338
2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 47001059
N'-(2-indol-1-ylacetyl)-2-phenylacetohydrazide
CID 17080293
2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
CID 53371268
2-[[2-(6-bromoindol-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 75117669

Frequently Asked Questions

What is the IUPAC name of 2-[(2-indol-1-ylacetyl)amino]butanoic acid?
The IUPAC name of 2-[(2-indol-1-ylacetyl)amino]butanoic acid (CID 119223861) is 2-[(2-indol-1-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 2-[(2-indol-1-ylacetyl)amino]butanoic acid?
The canonical SMILES for 2-[(2-indol-1-ylacetyl)amino]butanoic acid is CCC(NC(=O)Cn1ccc2ccccc21)C(=O)O.
What is the InChIKey of 2-[(2-indol-1-ylacetyl)amino]butanoic acid?
The InChIKey is TZFWITUXCLJQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-11(14(18)19)15-13(17)9-16-8-7-10-5-3-4-6-12(10)16/h3-8,11H,2,9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(2-indol-1-ylacetyl)amino]butanoic acid?
2-[(2-indol-1-ylacetyl)amino]butanoic acid has a molecular weight of 260.29 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-indol-1-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 119223861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).