2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid

C13H14N2O3 — CID 24707532

IUPAC2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H14N2O3/c1-15(8-13(17)18)12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,14H,6,8H2,1H3,(H,17,18)
InChIKeyBRWUPCBAHOBCDT-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.25
Rot. Bonds4

About 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid

2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid (PubChem CID 24707532) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid
PubChem CID24707532
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H14N2O3/c1-15(8-13(17)18)12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,14H,6,8H2,1H3,(H,17,18)
InChIKeyBRWUPCBAHOBCDT-UHFFFAOYSA-N
XLogP1.25
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 110836002
2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid
CID 43655190
N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962
2-[[2-(7-fluoro-1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 110835994
2-(1H-indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63208732
2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 43429962
2-(1H-indol-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950246
2-(1H-indol-3-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692080
2-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 7535659
2-(1H-indol-3-ylmethyl)prop-2-enoic acid
CID 10081533
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
2-(1H-indol-3-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110742649

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid (CID 24707532) is 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid?
The InChIKey is BRWUPCBAHOBCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-15(8-13(17)18)12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,14H,6,8H2,1H3,(H,17,18).
What are the key properties of 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid?
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid has a molecular weight of 246.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid is sourced from PubChem (CID 24707532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).