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

C14H17NO5 — CID 126836148

IUPAC6-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1c2cc(O)ccc2CC1C(=O)O
InChIInChI=1S/C14H17NO5/c1-14(2,3)20-13(19)15-10-7-9(16)5-4-8(10)6-11(15)12(17)18/h4-5,7,11,16H,6H2,1-3H3,(H,17,18)
InChIKeyQLINLMKCOUUAED-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.14
Rot. Bonds1

About 6-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid

6-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 126836148) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 6-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID126836148
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name6-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1c2cc(O)ccc2CC1C(=O)O
InChIInChI=1S/C14H17NO5/c1-14(2,3)20-13(19)15-10-7-9(16)5-4-8(10)6-11(15)12(17)18/h4-5,7,11,16H,6H2,1-3H3,(H,17,18)
InChIKeyQLINLMKCOUUAED-UHFFFAOYSA-N
XLogP2.14
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 6-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid (CID 126836148) is 6-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 6-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 6-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid is CC(C)(C)OC(=O)N1c2cc(O)ccc2CC1C(=O)O.
What is the InChIKey of 6-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is QLINLMKCOUUAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-14(2,3)20-13(19)15-10-7-9(16)5-4-8(10)6-11(15)12(17)18/h4-5,7,11,16H,6H2,1-3H3,(H,17,18).
What are the key properties of 6-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid?
6-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 126836148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).