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

C16H19NO5 — CID 13105664

IUPAC1-(5-methoxy-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCOC(=O)CCC(C)C(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C16H19NO5/c1-10(7-8-14(18)22-2)15(19)17-12-6-4-3-5-11(12)9-13(17)16(20)21/h3-6,10,13H,7-9H2,1-2H3,(H,20,21)
InChIKeyBUQIHBAGMSTXKR-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.62
Rot. Bonds5

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

1-(5-methoxy-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 13105664) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-(5-methoxy-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-methoxy-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID13105664
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name1-(5-methoxy-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCOC(=O)CCC(C)C(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C16H19NO5/c1-10(7-8-14(18)22-2)15(19)17-12-6-4-3-5-11(12)9-13(17)16(20)21/h3-6,10,13H,7-9H2,1-2H3,(H,20,21)
InChIKeyBUQIHBAGMSTXKR-UHFFFAOYSA-N
XLogP1.62
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(5-methoxy-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid (CID 13105664) is 1-(5-methoxy-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(5-methoxy-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(5-methoxy-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid is COC(=O)CCC(C)C(=O)N1c2ccccc2CC1C(=O)O.
What is the InChIKey of 1-(5-methoxy-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is BUQIHBAGMSTXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-10(7-8-14(18)22-2)15(19)17-12-6-4-3-5-11(12)9-13(17)16(20)21/h3-6,10,13H,7-9H2,1-2H3,(H,20,21).
What are the key properties of 1-(5-methoxy-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid?
1-(5-methoxy-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-methyl-5-oxopentanoyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 13105664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).