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

C15H21NO2 — CID 115106336

IUPAC2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid
SMILESCCCN1c2ccccc2CC1CC(C)C(=O)O
InChIInChI=1S/C15H21NO2/c1-3-8-16-13(9-11(2)15(17)18)10-12-6-4-5-7-14(12)16/h4-7,11,13H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyMAPJZWJYVODEAX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.94
Rot. Bonds5

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

2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid (PubChem CID 115106336) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid
PubChem CID115106336
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid
SMILESCCCN1c2ccccc2CC1CC(C)C(=O)O
InChIInChI=1S/C15H21NO2/c1-3-8-16-13(9-11(2)15(17)18)10-12-6-4-5-7-14(12)16/h4-7,11,13H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyMAPJZWJYVODEAX-UHFFFAOYSA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid
CID 115106341
1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
(2R)-1-propyl-2,3-dihydroindole-2-carbaldehyde
CID 99982020
1-propyl-2,3-dihydroindole-2-carbaldehyde
CID 102567896
1-(1-propyl-2,3-dihydroindol-2-yl)ethanone
CID 115106307
2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid
CID 115106317
3-(7-fluoro-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 83870304
2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid
CID 115106322
3-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117198727
2-(1-benzyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115107312
2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid
CID 83860831
3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117199116

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid (CID 115106336) is 2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid is CCCN1c2ccccc2CC1CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid?
The InChIKey is MAPJZWJYVODEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-8-16-13(9-11(2)15(17)18)10-12-6-4-5-7-14(12)16/h4-7,11,13H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid?
2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid is sourced from PubChem (CID 115106336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).