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

C18H24N2O3 — CID 119190241

IUPAC3-[[2-(7-methyl-1H-indol-3-yl)acetyl]-(2-methylpropyl)amino]propanoic acid
SMILESCc1cccc2c(CC(=O)N(CCC(=O)O)CC(C)C)c[nH]c12
InChIInChI=1S/C18H24N2O3/c1-12(2)11-20(8-7-17(22)23)16(21)9-14-10-19-18-13(3)5-4-6-15(14)18/h4-6,10,12,19H,7-9,11H2,1-3H3,(H,22,23)
InChIKeyKBNZEIUTMRNIQK-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.98
Rot. Bonds7

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

3-[[2-(7-methyl-1H-indol-3-yl)acetyl]-(2-methylpropyl)amino]propanoic acid (PubChem CID 119190241) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[[2-(7-methyl-1H-indol-3-yl)acetyl]-(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(7-methyl-1H-indol-3-yl)acetyl]-(2-methylpropyl)amino]propanoic acid
PubChem CID119190241
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-[[2-(7-methyl-1H-indol-3-yl)acetyl]-(2-methylpropyl)amino]propanoic acid
SMILESCc1cccc2c(CC(=O)N(CCC(=O)O)CC(C)C)c[nH]c12
InChIInChI=1S/C18H24N2O3/c1-12(2)11-20(8-7-17(22)23)16(21)9-14-10-19-18-13(3)5-4-6-15(14)18/h4-6,10,12,19H,7-9,11H2,1-3H3,(H,22,23)
InChIKeyKBNZEIUTMRNIQK-UHFFFAOYSA-N
XLogP2.98
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Related Compounds

N,N-diethyl-2-(7-methyl-1H-indol-3-yl)acetamide
CID 110855149
2-[[2-(7-methyl-1H-indol-3-yl)acetyl]-propylamino]acetic acid
CID 119205068
3-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
CID 119233339
2-[methyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 110836002
2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 119225264
2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 119194873
2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid
CID 119189819
3-[3-(3-methylphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190391
3-methyl-2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 119211734
3-hydroxy-4-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]butanoic acid
CID 138048367
4-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoylamino]butanoic acid
CID 122003467
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(7-methyl-1H-indol-3-yl)acetyl]-(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[[2-(7-methyl-1H-indol-3-yl)acetyl]-(2-methylpropyl)amino]propanoic acid (CID 119190241) is 3-[[2-(7-methyl-1H-indol-3-yl)acetyl]-(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[[2-(7-methyl-1H-indol-3-yl)acetyl]-(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[[2-(7-methyl-1H-indol-3-yl)acetyl]-(2-methylpropyl)amino]propanoic acid is Cc1cccc2c(CC(=O)N(CCC(=O)O)CC(C)C)c[nH]c12.
What is the InChIKey of 3-[[2-(7-methyl-1H-indol-3-yl)acetyl]-(2-methylpropyl)amino]propanoic acid?
The InChIKey is KBNZEIUTMRNIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12(2)11-20(8-7-17(22)23)16(21)9-14-10-19-18-13(3)5-4-6-15(14)18/h4-6,10,12,19H,7-9,11H2,1-3H3,(H,22,23).
What are the key properties of 3-[[2-(7-methyl-1H-indol-3-yl)acetyl]-(2-methylpropyl)amino]propanoic acid?
3-[[2-(7-methyl-1H-indol-3-yl)acetyl]-(2-methylpropyl)amino]propanoic acid has a molecular weight of 316.40 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(7-methyl-1H-indol-3-yl)acetyl]-(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 119190241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).