2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid

C18H24N2O4 — CID 86779598

IUPAC2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid
SMILESCOCCn1c(C)c(C)c2cc(C(=O)NC(C)(C)C(=O)O)ccc21
InChIInChI=1S/C18H24N2O4/c1-11-12(2)20(8-9-24-5)15-7-6-13(10-14(11)15)16(21)19-18(3,4)17(22)23/h6-7,10H,8-9H2,1-5H3,(H,19,21)(H,22,23)
InChIKeyGCDXTBGNMBVUGI-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.50
Rot. Bonds6

About 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid

2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 86779598) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid
PubChem CID86779598
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid
SMILESCOCCn1c(C)c(C)c2cc(C(=O)NC(C)(C)C(=O)O)ccc21
InChIInChI=1S/C18H24N2O4/c1-11-12(2)20(8-9-24-5)15-7-6-13(10-14(11)15)16(21)19-18(3,4)17(22)23/h6-7,10H,8-9H2,1-5H3,(H,19,21)(H,22,23)
InChIKeyGCDXTBGNMBVUGI-UHFFFAOYSA-N
XLogP2.50
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid (CID 86779598) is 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid is COCCn1c(C)c(C)c2cc(C(=O)NC(C)(C)C(=O)O)ccc21.
What is the InChIKey of 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is GCDXTBGNMBVUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11-12(2)20(8-9-24-5)15-7-6-13(10-14(11)15)16(21)19-18(3,4)17(22)23/h6-7,10H,8-9H2,1-5H3,(H,19,21)(H,22,23).
What are the key properties of 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid?
2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 332.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 86779598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).