1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid

C11H10N2O4 — CID 102711155

IUPAC1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid
SMILESNC(=O)CN1C(=O)Cc2cc(C(=O)O)ccc21
InChIInChI=1S/C11H10N2O4/c12-9(14)5-13-8-2-1-6(11(16)17)3-7(8)4-10(13)15/h1-3H,4-5H2,(H2,12,14)(H,16,17)
InChIKeyZVCCQBWXKZRBIX-UHFFFAOYSA-N
MW234.21 g/mol
LogP-0.24
Rot. Bonds3

About 1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid

1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid (PubChem CID 102711155) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid
PubChem CID102711155
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid
SMILESNC(=O)CN1C(=O)Cc2cc(C(=O)O)ccc21
InChIInChI=1S/C11H10N2O4/c12-9(14)5-13-8-2-1-6(11(16)17)3-7(8)4-10(13)15/h1-3H,4-5H2,(H2,12,14)(H,16,17)
InChIKeyZVCCQBWXKZRBIX-UHFFFAOYSA-N
XLogP-0.24
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid?
The IUPAC name of 1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid (CID 102711155) is 1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid is NC(=O)CN1C(=O)Cc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid?
The InChIKey is ZVCCQBWXKZRBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c12-9(14)5-13-8-2-1-6(11(16)17)3-7(8)4-10(13)15/h1-3H,4-5H2,(H2,12,14)(H,16,17).
What are the key properties of 1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid?
1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid is sourced from PubChem (CID 102711155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).