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

C16H18N2O3 — CID 119194873

IUPAC2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
SMILESCc1cccc2c(CC(=O)N(CC(=O)O)C3CC3)c[nH]c12
InChIInChI=1S/C16H18N2O3/c1-10-3-2-4-13-11(8-17-16(10)13)7-14(19)18(9-15(20)21)12-5-6-12/h2-4,8,12,17H,5-7,9H2,1H3,(H,20,21)
InChIKeySPASIOFJPJSUTG-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.09
Rot. Bonds5

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

2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid (PubChem CID 119194873) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
PubChem CID119194873
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
SMILESCc1cccc2c(CC(=O)N(CC(=O)O)C3CC3)c[nH]c12
InChIInChI=1S/C16H18N2O3/c1-10-3-2-4-13-11(8-17-16(10)13)7-14(19)18(9-15(20)21)12-5-6-12/h2-4,8,12,17H,5-7,9H2,1H3,(H,20,21)
InChIKeySPASIOFJPJSUTG-UHFFFAOYSA-N
XLogP2.09
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]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

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid (CID 119194873) is 2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid is Cc1cccc2c(CC(=O)N(CC(=O)O)C3CC3)c[nH]c12.
What is the InChIKey of 2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid?
The InChIKey is SPASIOFJPJSUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-3-2-4-13-11(8-17-16(10)13)7-14(19)18(9-15(20)21)12-5-6-12/h2-4,8,12,17H,5-7,9H2,1H3,(H,20,21).
What are the key properties of 2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 119194873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).