3-(3-methyl-5-propan-2-yloxyindol-1-yl)propanoic acid

C15H19NO3 — CID 82500856

IUPAC3-(3-methyl-5-propan-2-yloxyindol-1-yl)propanoic acid
SMILESCc1cn(CCC(=O)O)c2ccc(OC(C)C)cc12
InChIInChI=1S/C15H19NO3/c1-10(2)19-12-4-5-14-13(8-12)11(3)9-16(14)7-6-15(17)18/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)
InChIKeyREAIPDUVEYFVJO-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.21
Rot. Bonds5

About 3-(3-methyl-5-propan-2-yloxyindol-1-yl)propanoic acid

3-(3-methyl-5-propan-2-yloxyindol-1-yl)propanoic acid (PubChem CID 82500856) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(3-methyl-5-propan-2-yloxyindol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-methyl-5-propan-2-yloxyindol-1-yl)propanoic acid
PubChem CID82500856
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-(3-methyl-5-propan-2-yloxyindol-1-yl)propanoic acid
SMILESCc1cn(CCC(=O)O)c2ccc(OC(C)C)cc12
InChIInChI=1S/C15H19NO3/c1-10(2)19-12-4-5-14-13(8-12)11(3)9-16(14)7-6-15(17)18/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)
InChIKeyREAIPDUVEYFVJO-UHFFFAOYSA-N
XLogP3.21
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-3-methylindol-1-yl)propanoic acid
CID 82502249
2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid
CID 82264574
3-methyl-1-propylindole-5-carboxylic acid
CID 83945011
4-(3-acetyl-5-methoxyindol-1-yl)butan-2-one
CID 117098652
1-butyl-3-methylindole-5-carboxylic acid
CID 83946820
N-propan-2-yl-3-(5-propan-2-yloxyindol-1-yl)propanamide
CID 116625781
1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone
CID 46891659
3-[5-ethoxy-3-(1,3-thiazolidin-2-yl)indol-1-yl]propanoic acid
CID 84818082
3-[3-[benzenesulfonyl(ethyl)amino]-5-methoxyindol-1-yl]propanoic acid
CID 70351906
2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid
CID 82250478
6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid
CID 60933731
5-(2-methyl-4-propan-2-yloxyanilino)-5-oxopentanoic acid
CID 60933969

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-5-propan-2-yloxyindol-1-yl)propanoic acid?
The IUPAC name of 3-(3-methyl-5-propan-2-yloxyindol-1-yl)propanoic acid (CID 82500856) is 3-(3-methyl-5-propan-2-yloxyindol-1-yl)propanoic acid.
What is the SMILES notation for 3-(3-methyl-5-propan-2-yloxyindol-1-yl)propanoic acid?
The canonical SMILES for 3-(3-methyl-5-propan-2-yloxyindol-1-yl)propanoic acid is Cc1cn(CCC(=O)O)c2ccc(OC(C)C)cc12.
What is the InChIKey of 3-(3-methyl-5-propan-2-yloxyindol-1-yl)propanoic acid?
The InChIKey is REAIPDUVEYFVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(2)19-12-4-5-14-13(8-12)11(3)9-16(14)7-6-15(17)18/h4-5,8-10H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 3-(3-methyl-5-propan-2-yloxyindol-1-yl)propanoic acid?
3-(3-methyl-5-propan-2-yloxyindol-1-yl)propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-5-propan-2-yloxyindol-1-yl)propanoic acid is sourced from PubChem (CID 82500856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).