1-(5-amino-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid

C15H18N2O4 — CID 13105691

IUPAC1-(5-amino-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCC(CCC(N)=O)C(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C15H18N2O4/c1-9(6-7-13(16)18)14(19)17-11-5-3-2-4-10(11)8-12(17)15(20)21/h2-5,9,12H,6-8H2,1H3,(H2,16,18)(H,20,21)
InChIKeyDKILBGQUUSSKHG-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.93
Rot. Bonds5

About 1-(5-amino-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid

1-(5-amino-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 13105691) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-(5-amino-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID13105691
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-(5-amino-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCC(CCC(N)=O)C(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C15H18N2O4/c1-9(6-7-13(16)18)14(19)17-11-5-3-2-4-10(11)8-12(17)15(20)21/h2-5,9,12H,6-8H2,1H3,(H2,16,18)(H,20,21)
InChIKeyDKILBGQUUSSKHG-UHFFFAOYSA-N
XLogP0.93
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(5-amino-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid (CID 13105691) is 1-(5-amino-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(5-amino-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(5-amino-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid is CC(CCC(N)=O)C(=O)N1c2ccccc2CC1C(=O)O.
What is the InChIKey of 1-(5-amino-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is DKILBGQUUSSKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9(6-7-13(16)18)14(19)17-11-5-3-2-4-10(11)8-12(17)15(20)21/h2-5,9,12H,6-8H2,1H3,(H2,16,18)(H,20,21).
What are the key properties of 1-(5-amino-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid?
1-(5-amino-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 13105691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).