3-[3-ethoxypropyl(1H-indole-6-carbonyl)amino]-2-methylpropanoic acid

C18H24N2O4 — CID 119208488

IUPAC3-[3-ethoxypropyl(1H-indole-6-carbonyl)amino]-2-methylpropanoic acid
SMILESCCOCCCN(CC(C)C(=O)O)C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C18H24N2O4/c1-3-24-10-4-9-20(12-13(2)18(22)23)17(21)15-6-5-14-7-8-19-16(14)11-15/h5-8,11,13,19H,3-4,9-10,12H2,1-2H3,(H,22,23)
InChIKeyBXMYKWXQTVLKHF-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.76
Rot. Bonds9

About 3-[3-ethoxypropyl(1H-indole-6-carbonyl)amino]-2-methylpropanoic acid

3-[3-ethoxypropyl(1H-indole-6-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 119208488) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[3-ethoxypropyl(1H-indole-6-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-ethoxypropyl(1H-indole-6-carbonyl)amino]-2-methylpropanoic acid
PubChem CID119208488
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name3-[3-ethoxypropyl(1H-indole-6-carbonyl)amino]-2-methylpropanoic acid
SMILESCCOCCCN(CC(C)C(=O)O)C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C18H24N2O4/c1-3-24-10-4-9-20(12-13(2)18(22)23)17(21)15-6-5-14-7-8-19-16(14)11-15/h5-8,11,13,19H,3-4,9-10,12H2,1-2H3,(H,22,23)
InChIKeyBXMYKWXQTVLKHF-UHFFFAOYSA-N
XLogP2.76
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-ethoxypropyl(1H-indole-2-carbonyl)amino]-2-methylpropanoic acid
CID 119208402
3-[3-ethoxypropyl-(4-fluoro-3-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 120520259
3-[3-ethoxypropyl-(3-pyrrol-1-ylbenzoyl)amino]-2-methylpropanoic acid
CID 119208614
3-[(2-chlorobenzoyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 119208279
3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 119208314
3-[3-ethoxypropyl-(1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 119208607
3-[3-ethoxypropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 120520336
3-[(4,5-dimethyl-1H-indole-2-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 119208400
3-[3-ethoxypropyl-(3-methylthiophene-2-carbonyl)amino]-2-methylpropanoic acid
CID 119208280
3-[(1,5-dimethylpyrrole-2-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 119208438
3-[3-ethoxypropyl-(3-methylpyridine-2-carbonyl)amino]-2-methylpropanoic acid
CID 120520296
3-[acetyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82323212

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethoxypropyl(1H-indole-6-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-ethoxypropyl(1H-indole-6-carbonyl)amino]-2-methylpropanoic acid (CID 119208488) is 3-[3-ethoxypropyl(1H-indole-6-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-ethoxypropyl(1H-indole-6-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-ethoxypropyl(1H-indole-6-carbonyl)amino]-2-methylpropanoic acid is CCOCCCN(CC(C)C(=O)O)C(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of 3-[3-ethoxypropyl(1H-indole-6-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is BXMYKWXQTVLKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-24-10-4-9-20(12-13(2)18(22)23)17(21)15-6-5-14-7-8-19-16(14)11-15/h5-8,11,13,19H,3-4,9-10,12H2,1-2H3,(H,22,23).
What are the key properties of 3-[3-ethoxypropyl(1H-indole-6-carbonyl)amino]-2-methylpropanoic acid?
3-[3-ethoxypropyl(1H-indole-6-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 332.40 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethoxypropyl(1H-indole-6-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 119208488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).