3-(4-propoxyindol-1-yl)propanoic acid

C14H17NO3 — CID 83163575

IUPAC3-(4-propoxyindol-1-yl)propanoic acid
SMILESCCCOc1cccc2c1ccn2CCC(=O)O
InChIInChI=1S/C14H17NO3/c1-2-10-18-13-5-3-4-12-11(13)6-8-15(12)9-7-14(16)17/h3-6,8H,2,7,9-10H2,1H3,(H,16,17)
InChIKeyCCPOKYKCDGAVLB-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.90
Rot. Bonds6

About 3-(4-propoxyindol-1-yl)propanoic acid

3-(4-propoxyindol-1-yl)propanoic acid (PubChem CID 83163575) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(4-propoxyindol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-propoxyindol-1-yl)propanoic acid
PubChem CID83163575
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(4-propoxyindol-1-yl)propanoic acid
SMILESCCCOc1cccc2c1ccn2CCC(=O)O
InChIInChI=1S/C14H17NO3/c1-2-10-18-13-5-3-4-12-11(13)6-8-15(12)9-7-14(16)17/h3-6,8H,2,7,9-10H2,1H3,(H,16,17)
InChIKeyCCPOKYKCDGAVLB-UHFFFAOYSA-N
XLogP2.90
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-propoxyindol-1-yl)propanamide
CID 83173818
N-methyl-3-(4-propoxyindol-1-yl)propanamide
CID 83174183
3-(4-propoxyindol-1-yl)propanehydrazide
CID 83162357
4-propoxy-1-(2-propoxyethyl)indole
CID 106458022
1-(2-ethylsulfonylethyl)-4-propoxyindole
CID 83174266
3-(4-propoxyindol-1-yl)propan-1-amine
CID 83163339
1-(3-ethoxypropyl)-4-propoxyindole
CID 83173539
2-(4-propoxyindol-1-yl)acetohydrazide
CID 83163365
1-(3-methylsulfonylpropyl)-4-propoxyindole
CID 83173638
4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
3-[4-[2-(5-methyl-2-phenyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid
CID 91399527
2-(4-ethoxyindol-1-yl)acetic acid
CID 83162473

Frequently Asked Questions

What is the IUPAC name of 3-(4-propoxyindol-1-yl)propanoic acid?
The IUPAC name of 3-(4-propoxyindol-1-yl)propanoic acid (CID 83163575) is 3-(4-propoxyindol-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-propoxyindol-1-yl)propanoic acid?
The canonical SMILES for 3-(4-propoxyindol-1-yl)propanoic acid is CCCOc1cccc2c1ccn2CCC(=O)O.
What is the InChIKey of 3-(4-propoxyindol-1-yl)propanoic acid?
The InChIKey is CCPOKYKCDGAVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-10-18-13-5-3-4-12-11(13)6-8-15(12)9-7-14(16)17/h3-6,8H,2,7,9-10H2,1H3,(H,16,17).
What are the key properties of 3-(4-propoxyindol-1-yl)propanoic acid?
3-(4-propoxyindol-1-yl)propanoic acid has a molecular weight of 247.29 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propoxyindol-1-yl)propanoic acid is sourced from PubChem (CID 83163575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).