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

C14H16N2O3 — CID 110836002

IUPAC2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
SMILESCc1cccc2c(CC(=O)N(C)CC(=O)O)c[nH]c12
InChIInChI=1S/C14H16N2O3/c1-9-4-3-5-11-10(7-15-14(9)11)6-12(17)16(2)8-13(18)19/h3-5,7,15H,6,8H2,1-2H3,(H,18,19)
InChIKeyLNJUEWLWYPJGPU-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.56
Rot. Bonds4

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

2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid (PubChem CID 110836002) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
PubChem CID110836002
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
SMILESCc1cccc2c(CC(=O)N(C)CC(=O)O)c[nH]c12
InChIInChI=1S/C14H16N2O3/c1-9-4-3-5-11-10(7-15-14(9)11)6-12(17)16(2)8-13(18)19/h3-5,7,15H,6,8H2,1-2H3,(H,18,19)
InChIKeyLNJUEWLWYPJGPU-UHFFFAOYSA-N
XLogP1.56
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 110835994
2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 119194873
2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid
CID 119205068
N,N-diethyl-2-(7-methyl-1H-indol-3-yl)acetamide
CID 110855149
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 24707532
3-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
CID 119233339
2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid
CID 119189819
3-[[2-(7-methyl-1H-indol-3-yl)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190241
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
CID 119200885
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(7-methyl-1H-indol-3-yl)acetamide
CID 110853744

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid (CID 110836002) is 2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid is Cc1cccc2c(CC(=O)N(C)CC(=O)O)c[nH]c12.
What is the InChIKey of 2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid?
The InChIKey is LNJUEWLWYPJGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-4-3-5-11-10(7-15-14(9)11)6-12(17)16(2)8-13(18)19/h3-5,7,15H,6,8H2,1-2H3,(H,18,19).
What are the key properties of 2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid?
2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 110836002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).