2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid

C16H23NO2 — CID 117199630

IUPAC2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid
SMILESCc1cccc2c1C(CC(C)C(=O)O)CN2C(C)C
InChIInChI=1S/C16H23NO2/c1-10(2)17-9-13(8-12(4)16(18)19)15-11(3)6-5-7-14(15)17/h5-7,10,12-13H,8-9H2,1-4H3,(H,18,19)
InChIKeyHQLCBXIGLPWQCZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.42
Rot. Bonds4

About 2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid

2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid (PubChem CID 117199630) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid
PubChem CID117199630
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid
SMILESCc1cccc2c1C(CC(C)C(=O)O)CN2C(C)C
InChIInChI=1S/C16H23NO2/c1-10(2)17-9-13(8-12(4)16(18)19)15-11(3)6-5-7-14(15)17/h5-7,10,12-13H,8-9H2,1-4H3,(H,18,19)
InChIKeyHQLCBXIGLPWQCZ-UHFFFAOYSA-N
XLogP3.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid (CID 117199630) is 2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid is Cc1cccc2c1C(CC(C)C(=O)O)CN2C(C)C.
What is the InChIKey of 2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid?
The InChIKey is HQLCBXIGLPWQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10(2)17-9-13(8-12(4)16(18)19)15-11(3)6-5-7-14(15)17/h5-7,10,12-13H,8-9H2,1-4H3,(H,18,19).
What are the key properties of 2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid?
2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid has a molecular weight of 261.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid is sourced from PubChem (CID 117199630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).