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

C15H18N2O3 — CID 61022230

IUPAC2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H18N2O3/c1-3-17(9-15(19)20)14(18)8-12-10(2)16-13-7-5-4-6-11(12)13/h4-7,16H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyILGLBMFDOMPONN-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.95
Rot. Bonds5

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

2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid (PubChem CID 61022230) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
PubChem CID61022230
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H18N2O3/c1-3-17(9-15(19)20)14(18)8-12-10(2)16-13-7-5-4-6-11(12)13/h4-7,16H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyILGLBMFDOMPONN-UHFFFAOYSA-N
XLogP1.95
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 55594454
N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 60742837
N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110702447
2-[(2-methyl-1H-indole-3-carbonyl)-propylamino]acetic acid
CID 61007359
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110702454
(2S,3S)-3-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 119194327
N-ethyl-3-(2-methyl-1H-indol-3-yl)-N-(2-pyridin-4-ylethyl)propanamide
CID 110683519
2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
CID 114619029
ethyl 4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 31899581
2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
CID 137287040
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid (CID 61022230) is 2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid is CCN(CC(=O)O)C(=O)Cc1c(C)[nH]c2ccccc12.
What is the InChIKey of 2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid?
The InChIKey is ILGLBMFDOMPONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-17(9-15(19)20)14(18)8-12-10(2)16-13-7-5-4-6-11(12)13/h4-7,16H,3,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid?
2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 61022230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).