3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid

C19H19NO2 — CID 3542496

IUPAC3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid
SMILESCc1cccc(C(CC(=O)O)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C19H19NO2/c1-13-6-5-7-14(10-13)16(11-19(21)22)17-12-20(2)18-9-4-3-8-15(17)18/h3-10,12,16H,11H2,1-2H3,(H,21,22)
InChIKeyHADXAOCNQGKJPQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.09
Rot. Bonds4

About 3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid

3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid (PubChem CID 3542496) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid
PubChem CID3542496
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid
SMILESCc1cccc(C(CC(=O)O)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C19H19NO2/c1-13-6-5-7-14(10-13)16(11-19(21)22)17-12-20(2)18-9-4-3-8-15(17)18/h3-10,12,16H,11H2,1-2H3,(H,21,22)
InChIKeyHADXAOCNQGKJPQ-UHFFFAOYSA-N
XLogP4.09
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 42774737
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336287
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 42774723
(3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 1026696
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 3336438
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 3336286
3-hydroxy-3-(1-methylindol-3-yl)propanoic acid
CID 130117642
methyl (4S)-4-(1-methylindol-3-yl)-4-(4-methylphenyl)-2-oxobutanoate
CID 101458793
ethyl 3,3-bis(1-methylindol-3-yl)propanoate
CID 11566677
acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine
CID 75539416
[2-(1-methylindol-3-yl)-2-phenylethyl]azanium acetate
CID 155823409

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid?
The IUPAC name of 3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid (CID 3542496) is 3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid?
The canonical SMILES for 3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid is Cc1cccc(C(CC(=O)O)c2cn(C)c3ccccc23)c1.
What is the InChIKey of 3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid?
The InChIKey is HADXAOCNQGKJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-13-6-5-7-14(10-13)16(11-19(21)22)17-12-20(2)18-9-4-3-8-15(17)18/h3-10,12,16H,11H2,1-2H3,(H,21,22).
What are the key properties of 3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid?
3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid has a molecular weight of 293.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 3542496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).