3-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-methyl-3-phenylpropanoic acid

C22H24N2O3 — CID 119218961

IUPAC3-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
SMILESCCn1cc(CC(=O)NC(c2ccccc2)C(C)C(=O)O)c2ccccc21
InChIInChI=1S/C22H24N2O3/c1-3-24-14-17(18-11-7-8-12-19(18)24)13-20(25)23-21(15(2)22(26)27)16-9-5-4-6-10-16/h4-12,14-15,21H,3,13H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyHDYNRYQUUIPVGH-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.78
Rot. Bonds7

About 3-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-methyl-3-phenylpropanoic acid

3-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-methyl-3-phenylpropanoic acid (PubChem CID 119218961) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
PubChem CID119218961
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name3-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
SMILESCCn1cc(CC(=O)NC(c2ccccc2)C(C)C(=O)O)c2ccccc21
InChIInChI=1S/C22H24N2O3/c1-3-24-14-17(18-11-7-8-12-19(18)24)13-20(25)23-21(15(2)22(26)27)16-9-5-4-6-10-16/h4-12,14-15,21H,3,13H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyHDYNRYQUUIPVGH-UHFFFAOYSA-N
XLogP3.78
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid
CID 119244285
2-(1-ethylindol-3-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]acetamide
CID 71846285
3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 75513395
(2R,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 99849385
2-methyl-3-phenyl-3-(3-phenylbutanoylamino)propanoic acid
CID 119218736
N-butan-2-yl-4-(1-ethylindol-3-yl)butanamide
CID 22522937
2-methyl-3-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 86782511
(2R,3S)-2-methyl-3-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 99851556
3-[(1-ethylindol-3-yl)methyl-methylamino]-2-methylpropanoic acid
CID 65067537
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1-ethylindol-3-yl)acetamide
CID 71881201
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid
CID 120686881

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-methyl-3-phenylpropanoic acid?
The IUPAC name of 3-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-methyl-3-phenylpropanoic acid (CID 119218961) is 3-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-methyl-3-phenylpropanoic acid is CCn1cc(CC(=O)NC(c2ccccc2)C(C)C(=O)O)c2ccccc21.
What is the InChIKey of 3-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-methyl-3-phenylpropanoic acid?
The InChIKey is HDYNRYQUUIPVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-24-14-17(18-11-7-8-12-19(18)24)13-20(25)23-21(15(2)22(26)27)16-9-5-4-6-10-16/h4-12,14-15,21H,3,13H2,1-2H3,(H,23,25)(H,26,27).
What are the key properties of 3-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-methyl-3-phenylpropanoic acid?
3-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-methyl-3-phenylpropanoic acid has a molecular weight of 364.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-ethylindol-3-yl)acetyl]amino]-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 119218961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).