2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid

C15H19NO4 — CID 18545815

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-9-10(8-13(17)18)11-6-4-5-7-12(11)16/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeyPPVKBEWRGPFIIJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.00
Rot. Bonds2

About 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 18545815) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid
PubChem CID18545815
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-9-10(8-13(17)18)11-6-4-5-7-12(11)16/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeyPPVKBEWRGPFIIJ-UHFFFAOYSA-N
XLogP3.00
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid (CID 18545815) is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid is CC(C)(C)OC(=O)N1CC(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is PPVKBEWRGPFIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-9-10(8-13(17)18)11-6-4-5-7-12(11)16/h4-7,10H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid?
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 18545815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).