2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid

C15H21NO2 — CID 115105876

IUPAC2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid
SMILESCC(Cc1ccc2c(c1)N(C(C)C)CC2)C(=O)O
InChIInChI=1S/C15H21NO2/c1-10(2)16-7-6-13-5-4-12(9-14(13)16)8-11(3)15(17)18/h4-5,9-11H,6-8H2,1-3H3,(H,17,18)
InChIKeyAWDDYYJSGWFEEU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.72
Rot. Bonds4

About 2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid

2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid (PubChem CID 115105876) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid
PubChem CID115105876
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid
SMILESCC(Cc1ccc2c(c1)N(C(C)C)CC2)C(=O)O
InChIInChI=1S/C15H21NO2/c1-10(2)16-7-6-13-5-4-12(9-14(13)16)8-11(3)15(17)18/h4-5,9-11H,6-8H2,1-3H3,(H,17,18)
InChIKeyAWDDYYJSGWFEEU-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid
CID 170880224
1-propan-2-yl-2,3-dihydroindol-6-ol
CID 84732134
2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid
CID 82392679
2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid
CID 170880165
3-(2,2-dimethyl-1,3-dihydroinden-5-yl)-2-methylpropanoic acid
CID 132513681
(1-propan-2-yl-2,3-dihydroindol-5-yl)methanol
CID 115114830
2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103827394
2-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)ethanamine
CID 82263620
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbutanoic acid
CID 103498081
(2R)-2-methyl-3-[1-(3-phenylmethoxypropyl)-2,3-dihydroindol-5-yl]propanoic acid
CID 118103243
2-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 117410747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid (CID 115105876) is 2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid is CC(Cc1ccc2c(c1)N(C(C)C)CC2)C(=O)O.
What is the InChIKey of 2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid?
The InChIKey is AWDDYYJSGWFEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)16-7-6-13-5-4-12(9-14(13)16)8-11(3)15(17)18/h4-5,9-11H,6-8H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid?
2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid is sourced from PubChem (CID 115105876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).