2-[[2-(1-ethylindol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid

C17H22N2O3 — CID 119200487

IUPAC2-[[2-(1-ethylindol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCCn1cc(CC(=O)N(C)C(C)(C)C(=O)O)c2ccccc21
InChIInChI=1S/C17H22N2O3/c1-5-19-11-12(13-8-6-7-9-14(13)19)10-15(20)18(4)17(2,3)16(21)22/h6-9,11H,5,10H2,1-4H3,(H,21,22)
InChIKeyPIYTWVHKCHEJDD-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.53
Rot. Bonds5

About 2-[[2-(1-ethylindol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid

2-[[2-(1-ethylindol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid (PubChem CID 119200487) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[[2-(1-ethylindol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(1-ethylindol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
PubChem CID119200487
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-[[2-(1-ethylindol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
SMILESCCn1cc(CC(=O)N(C)C(C)(C)C(=O)O)c2ccccc21
InChIInChI=1S/C17H22N2O3/c1-5-19-11-12(13-8-6-7-9-14(13)19)10-15(20)18(4)17(2,3)16(21)22/h6-9,11H,5,10H2,1-4H3,(H,21,22)
InChIKeyPIYTWVHKCHEJDD-UHFFFAOYSA-N
XLogP2.53
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid
CID 119195131
2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696950
2-methyl-2-[methyl-(2-phenylacetyl)amino]propanoic acid
CID 62818448
3-[(1-ethylindol-3-yl)methyl-methylamino]-2-methylpropanoic acid
CID 65067537
(2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid
CID 119244285
2-(1-ethylindol-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436011
2-[1-(3,3-dimethylbutyl)indol-3-yl]acetic acid
CID 61481379
2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid
CID 166467492
N-[2-(dimethylamino)ethyl]-2-(1-ethylindol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46966320
acetic acid;1-ethylindol-3-ol
CID 71405602
3-(1-ethylindol-3-yl)-N,N-dimethylpropan-1-amine
CID 158239004
1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119166514

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-ethylindol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(1-ethylindol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid (CID 119200487) is 2-[[2-(1-ethylindol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(1-ethylindol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(1-ethylindol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid is CCn1cc(CC(=O)N(C)C(C)(C)C(=O)O)c2ccccc21.
What is the InChIKey of 2-[[2-(1-ethylindol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is PIYTWVHKCHEJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-5-19-11-12(13-8-6-7-9-14(13)19)10-15(20)18(4)17(2,3)16(21)22/h6-9,11H,5,10H2,1-4H3,(H,21,22).
What are the key properties of 2-[[2-(1-ethylindol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid?
2-[[2-(1-ethylindol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 302.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-ethylindol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119200487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).