2-[2-methoxyethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid

C15H20N2O5 — CID 119189193

IUPAC2-[2-methoxyethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1[nH]c2c(c1C)C(=O)CCC2
InChIInChI=1S/C15H20N2O5/c1-9-13-10(4-3-5-11(13)18)16-14(9)15(21)17(6-7-22-2)8-12(19)20/h16H,3-8H2,1-2H3,(H,19,20)
InChIKeyZMSOYJVVDUNHMW-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.02
Rot. Bonds6

About 2-[2-methoxyethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid

2-[2-methoxyethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid (PubChem CID 119189193) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid
PubChem CID119189193
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name2-[2-methoxyethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1[nH]c2c(c1C)C(=O)CCC2
InChIInChI=1S/C15H20N2O5/c1-9-13-10(4-3-5-11(13)18)16-14(9)15(21)17(6-7-22-2)8-12(19)20/h16H,3-8H2,1-2H3,(H,19,20)
InChIKeyZMSOYJVVDUNHMW-UHFFFAOYSA-N
XLogP1.02
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid (CID 119189193) is 2-[2-methoxyethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1[nH]c2c(c1C)C(=O)CCC2.
What is the InChIKey of 2-[2-methoxyethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid?
The InChIKey is ZMSOYJVVDUNHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-9-13-10(4-3-5-11(13)18)16-14(9)15(21)17(6-7-22-2)8-12(19)20/h16H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-methoxyethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid?
2-[2-methoxyethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid has a molecular weight of 308.33 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 119189193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).