2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid

C17H22N2O4 — CID 119189819

IUPAC2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CCc1c[nH]c2c(C)cccc12
InChIInChI=1S/C17H22N2O4/c1-12-4-3-5-14-13(10-18-17(12)14)6-7-15(20)19(8-9-23-2)11-16(21)22/h3-5,10,18H,6-9,11H2,1-2H3,(H,21,22)
InChIKeyGZFJLNQVKFEETI-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.97
Rot. Bonds8

About 2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid

2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid (PubChem CID 119189819) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid
PubChem CID119189819
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CCc1c[nH]c2c(C)cccc12
InChIInChI=1S/C17H22N2O4/c1-12-4-3-5-14-13(10-18-17(12)14)6-7-15(20)19(8-9-23-2)11-16(21)22/h3-5,10,18H,6-9,11H2,1-2H3,(H,21,22)
InChIKeyGZFJLNQVKFEETI-UHFFFAOYSA-N
XLogP1.97
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
CID 119233339
2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid
CID 119205068
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
CID 119200885
2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 110836002
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
N,N-diethyl-2-(7-methyl-1H-indol-3-yl)acetamide
CID 110855149
2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 119194873
3-[[2-(7-methyl-1H-indol-3-yl)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190241
2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
CID 119348164
ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid
CID 153346441
4-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoylamino]butanoic acid
CID 122003467

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid (CID 119189819) is 2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)CCc1c[nH]c2c(C)cccc12.
What is the InChIKey of 2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid?
The InChIKey is GZFJLNQVKFEETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12-4-3-5-14-13(10-18-17(12)14)6-7-15(20)19(8-9-23-2)11-16(21)22/h3-5,10,18H,6-9,11H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid?
2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid has a molecular weight of 318.37 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 119189819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).