3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid

C16H23NO3 — CID 117202632

IUPAC3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)N1CC(CC(C)(C)C(=O)O)c2cc(O)ccc21
InChIInChI=1S/C16H23NO3/c1-10(2)17-9-11(8-16(3,4)15(19)20)13-7-12(18)5-6-14(13)17/h5-7,10-11,18H,8-9H2,1-4H3,(H,19,20)
InChIKeyJHKFPFGRXHTMQK-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.21
Rot. Bonds4

About 3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid

3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid (PubChem CID 117202632) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid
PubChem CID117202632
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)N1CC(CC(C)(C)C(=O)O)c2cc(O)ccc21
InChIInChI=1S/C16H23NO3/c1-10(2)17-9-11(8-16(3,4)15(19)20)13-7-12(18)5-6-14(13)17/h5-7,10-11,18H,8-9H2,1-4H3,(H,19,20)
InChIKeyJHKFPFGRXHTMQK-UHFFFAOYSA-N
XLogP3.21
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid (CID 117202632) is 3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid is CC(C)N1CC(CC(C)(C)C(=O)O)c2cc(O)ccc21.
What is the InChIKey of 3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid?
The InChIKey is JHKFPFGRXHTMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10(2)17-9-11(8-16(3,4)15(19)20)13-7-12(18)5-6-14(13)17/h5-7,10-11,18H,8-9H2,1-4H3,(H,19,20).
What are the key properties of 3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid?
3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid has a molecular weight of 277.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117202632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).