5-(4-propan-2-yloxyindol-1-yl)pentanoic acid

C16H21NO3 — CID 83163319

IUPAC5-(4-propan-2-yloxyindol-1-yl)pentanoic acid
SMILESCC(C)Oc1cccc2c1ccn2CCCCC(=O)O
InChIInChI=1S/C16H21NO3/c1-12(2)20-15-7-5-6-14-13(15)9-11-17(14)10-4-3-8-16(18)19/h5-7,9,11-12H,3-4,8,10H2,1-2H3,(H,18,19)
InChIKeyIDMXMWBXEUTPMC-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.68
Rot. Bonds7

About 5-(4-propan-2-yloxyindol-1-yl)pentanoic acid

5-(4-propan-2-yloxyindol-1-yl)pentanoic acid (PubChem CID 83163319) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-(4-propan-2-yloxyindol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(4-propan-2-yloxyindol-1-yl)pentanoic acid
PubChem CID83163319
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name5-(4-propan-2-yloxyindol-1-yl)pentanoic acid
SMILESCC(C)Oc1cccc2c1ccn2CCCCC(=O)O
InChIInChI=1S/C16H21NO3/c1-12(2)20-15-7-5-6-14-13(15)9-11-17(14)10-4-3-8-16(18)19/h5-7,9,11-12H,3-4,8,10H2,1-2H3,(H,18,19)
InChIKeyIDMXMWBXEUTPMC-UHFFFAOYSA-N
XLogP3.68
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
1-(3-methylbut-3-enyl)-4-propan-2-yloxyindole
CID 114476720
1-hept-6-enyl-4-propan-2-yloxyindole
CID 107010208
(Z)-2-methyl-4-(4-propan-2-yloxyindol-1-yl)but-2-enoic acid
CID 83163478
5-(4-fluoroindol-1-yl)pentanoic acid
CID 82792502
ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate
CID 83162471
2,2-dimethyl-5-(4-propan-2-yloxyindol-1-yl)pentanenitrile
CID 83165281
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
CID 83164753
4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83162517
1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole
CID 106458016
N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
CID 83163508
3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol
CID 83174239

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yloxyindol-1-yl)pentanoic acid?
The IUPAC name of 5-(4-propan-2-yloxyindol-1-yl)pentanoic acid (CID 83163319) is 5-(4-propan-2-yloxyindol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(4-propan-2-yloxyindol-1-yl)pentanoic acid?
The canonical SMILES for 5-(4-propan-2-yloxyindol-1-yl)pentanoic acid is CC(C)Oc1cccc2c1ccn2CCCCC(=O)O.
What is the InChIKey of 5-(4-propan-2-yloxyindol-1-yl)pentanoic acid?
The InChIKey is IDMXMWBXEUTPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(2)20-15-7-5-6-14-13(15)9-11-17(14)10-4-3-8-16(18)19/h5-7,9,11-12H,3-4,8,10H2,1-2H3,(H,18,19).
What are the key properties of 5-(4-propan-2-yloxyindol-1-yl)pentanoic acid?
5-(4-propan-2-yloxyindol-1-yl)pentanoic acid has a molecular weight of 275.35 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yloxyindol-1-yl)pentanoic acid is sourced from PubChem (CID 83163319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).