4-(5-methoxy-1H-indol-3-yl)pentanoic acid

C14H17NO3 — CID 115420787

IUPAC4-(5-methoxy-1H-indol-3-yl)pentanoic acid
SMILESCOc1ccc2[nH]cc(C(C)CCC(=O)O)c2c1
InChIInChI=1S/C14H17NO3/c1-9(3-6-14(16)17)12-8-15-13-5-4-10(18-2)7-11(12)13/h4-5,7-9,15H,3,6H2,1-2H3,(H,16,17)
InChIKeyLKUKHOBVQNTJOP-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.14
Rot. Bonds5

About 4-(5-methoxy-1H-indol-3-yl)pentanoic acid

4-(5-methoxy-1H-indol-3-yl)pentanoic acid (PubChem CID 115420787) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-(5-methoxy-1H-indol-3-yl)pentanoic acid.

Molecular Properties

Compound Name4-(5-methoxy-1H-indol-3-yl)pentanoic acid
PubChem CID115420787
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-(5-methoxy-1H-indol-3-yl)pentanoic acid
SMILESCOc1ccc2[nH]cc(C(C)CCC(=O)O)c2c1
InChIInChI=1S/C14H17NO3/c1-9(3-6-14(16)17)12-8-15-13-5-4-10(18-2)7-11(12)13/h4-5,7-9,15H,3,6H2,1-2H3,(H,16,17)
InChIKeyLKUKHOBVQNTJOP-UHFFFAOYSA-N
XLogP3.14
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(5-methoxy-1H-indol-3-yl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680
3-(5-ethoxy-1H-indol-3-yl)butanoic acid
CID 82277509
1-dimethoxyphosphoryl-4-(5-methoxy-1H-indol-3-yl)pentan-2-one
CID 102085715
(2R)-3,3,3-trifluoro-2-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 98042413
ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate
CID 102584304
ethyl (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171219289
ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171199762
3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol
CID 177308406
3-[1-(5-methoxy-1H-indol-3-yl)propan-2-yl-methylamino]propanoic acid
CID 84751647
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
N-[1-(5-methoxy-1H-indol-3-yl)propyl]propanamide
CID 175009120
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-1H-indol-3-yl)pentanoic acid?
The IUPAC name of 4-(5-methoxy-1H-indol-3-yl)pentanoic acid (CID 115420787) is 4-(5-methoxy-1H-indol-3-yl)pentanoic acid.
What is the SMILES notation for 4-(5-methoxy-1H-indol-3-yl)pentanoic acid?
The canonical SMILES for 4-(5-methoxy-1H-indol-3-yl)pentanoic acid is COc1ccc2[nH]cc(C(C)CCC(=O)O)c2c1.
What is the InChIKey of 4-(5-methoxy-1H-indol-3-yl)pentanoic acid?
The InChIKey is LKUKHOBVQNTJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(3-6-14(16)17)12-8-15-13-5-4-10(18-2)7-11(12)13/h4-5,7-9,15H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 4-(5-methoxy-1H-indol-3-yl)pentanoic acid?
4-(5-methoxy-1H-indol-3-yl)pentanoic acid has a molecular weight of 247.29 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-1H-indol-3-yl)pentanoic acid is sourced from PubChem (CID 115420787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).