2-amino-3-(1,5-dimethylindol-2-yl)propanoic acid

C13H16N2O2 — CID 82663207

IUPAC2-amino-3-(1,5-dimethylindol-2-yl)propanoic acid
SMILESCc1ccc2c(c1)cc(CC(N)C(=O)O)n2C
InChIInChI=1S/C13H16N2O2/c1-8-3-4-12-9(5-8)6-10(15(12)2)7-11(14)13(16)17/h3-6,11H,7,14H2,1-2H3,(H,16,17)
InChIKeyZSWNVOJZVYJXTM-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.44
Rot. Bonds3

About 2-amino-3-(1,5-dimethylindol-2-yl)propanoic acid

2-amino-3-(1,5-dimethylindol-2-yl)propanoic acid (PubChem CID 82663207) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-amino-3-(1,5-dimethylindol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1,5-dimethylindol-2-yl)propanoic acid
PubChem CID82663207
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-amino-3-(1,5-dimethylindol-2-yl)propanoic acid
SMILESCc1ccc2c(c1)cc(CC(N)C(=O)O)n2C
InChIInChI=1S/C13H16N2O2/c1-8-3-4-12-9(5-8)6-10(15(12)2)7-11(14)13(16)17/h3-6,11H,7,14H2,1-2H3,(H,16,17)
InChIKeyZSWNVOJZVYJXTM-UHFFFAOYSA-N
XLogP1.44
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(1,5-dimethylindol-2-yl)propanoic 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-amino-3-(1,5-dimethylindol-2-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1,5-dimethylindol-2-yl)propanoic acid (CID 82663207) is 2-amino-3-(1,5-dimethylindol-2-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1,5-dimethylindol-2-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1,5-dimethylindol-2-yl)propanoic acid is Cc1ccc2c(c1)cc(CC(N)C(=O)O)n2C.
What is the InChIKey of 2-amino-3-(1,5-dimethylindol-2-yl)propanoic acid?
The InChIKey is ZSWNVOJZVYJXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-3-4-12-9(5-8)6-10(15(12)2)7-11(14)13(16)17/h3-6,11H,7,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-3-(1,5-dimethylindol-2-yl)propanoic acid?
2-amino-3-(1,5-dimethylindol-2-yl)propanoic acid has a molecular weight of 232.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,5-dimethylindol-2-yl)propanoic acid is sourced from PubChem (CID 82663207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).