2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid

C15H19NO4 — CID 117046312

IUPAC2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCC1C(C(=O)O)c2ccccc2N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H19NO4/c1-9-12(13(17)18)10-7-5-6-8-11(10)16(9)14(19)20-15(2,3)4/h5-9,12H,1-4H3,(H,17,18)
InChIKeyWGILMBITEGFAGY-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.00
Rot. Bonds1

About 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid

2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 117046312) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID117046312
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCC1C(C(=O)O)c2ccccc2N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H19NO4/c1-9-12(13(17)18)10-7-5-6-8-11(10)16(9)14(19)20-15(2,3)4/h5-9,12H,1-4H3,(H,17,18)
InChIKeyWGILMBITEGFAGY-UHFFFAOYSA-N
XLogP3.00
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid (CID 117046312) is 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid is CC1C(C(=O)O)c2ccccc2N1C(=O)OC(C)(C)C.
What is the InChIKey of 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is WGILMBITEGFAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9-12(13(17)18)10-7-5-6-8-11(10)16(9)14(19)20-15(2,3)4/h5-9,12H,1-4H3,(H,17,18).
What are the key properties of 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid?
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 117046312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).