2,2-dimethyl-3-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid

C17H25NO2 — CID 117203319

IUPAC2,2-dimethyl-3-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid
SMILESCC(C)N1c2ccc(CC(C)(C)C(=O)O)cc2CC1C
InChIInChI=1S/C17H25NO2/c1-11(2)18-12(3)8-14-9-13(6-7-15(14)18)10-17(4,5)16(19)20/h6-7,9,11-12H,8,10H2,1-5H3,(H,19,20)
InChIKeyMIPBVPYZLQFVQX-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.50
Rot. Bonds4

About 2,2-dimethyl-3-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid

2,2-dimethyl-3-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid (PubChem CID 117203319) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid
PubChem CID117203319
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2,2-dimethyl-3-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid
SMILESCC(C)N1c2ccc(CC(C)(C)C(=O)O)cc2CC1C
InChIInChI=1S/C17H25NO2/c1-11(2)18-12(3)8-14-9-13(6-7-15(14)18)10-17(4,5)16(19)20/h6-7,9,11-12H,8,10H2,1-5H3,(H,19,20)
InChIKeyMIPBVPYZLQFVQX-UHFFFAOYSA-N
XLogP3.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid (CID 117203319) is 2,2-dimethyl-3-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid is CC(C)N1c2ccc(CC(C)(C)C(=O)O)cc2CC1C.
What is the InChIKey of 2,2-dimethyl-3-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid?
The InChIKey is MIPBVPYZLQFVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11(2)18-12(3)8-14-9-13(6-7-15(14)18)10-17(4,5)16(19)20/h6-7,9,11-12H,8,10H2,1-5H3,(H,19,20).
What are the key properties of 2,2-dimethyl-3-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid?
2,2-dimethyl-3-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methyl-1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid is sourced from PubChem (CID 117203319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).