4-(4-chloro-1H-indol-3-yl)pentanoic acid

C13H14ClNO2 — CID 115420859

IUPAC4-(4-chloro-1H-indol-3-yl)pentanoic acid
SMILESCC(CCC(=O)O)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C13H14ClNO2/c1-8(5-6-12(16)17)9-7-15-11-4-2-3-10(14)13(9)11/h2-4,7-8,15H,5-6H2,1H3,(H,16,17)
InChIKeyGZFWONCTOAKASP-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.79
Rot. Bonds4

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

4-(4-chloro-1H-indol-3-yl)pentanoic acid (PubChem CID 115420859) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 4-(4-chloro-1H-indol-3-yl)pentanoic acid.

Molecular Properties

Compound Name4-(4-chloro-1H-indol-3-yl)pentanoic acid
PubChem CID115420859
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name4-(4-chloro-1H-indol-3-yl)pentanoic acid
SMILESCC(CCC(=O)O)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C13H14ClNO2/c1-8(5-6-12(16)17)9-7-15-11-4-2-3-10(14)13(9)11/h2-4,7-8,15H,5-6H2,1H3,(H,16,17)
InChIKeyGZFWONCTOAKASP-UHFFFAOYSA-N
XLogP3.79
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-1H-indol-3-yl)butanedioic acid
CID 23513553
4-chloro-3-propan-2-yl-1H-indole
CID 129292866
(2S,3S)-2,3-diamino-3-(4-chloro-1H-indol-3-yl)propanoic acid
CID 174256823
(1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine
CID 82758826
2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-1-carboxylic acid
CID 118073227
(3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088531
4-(4-chloronaphthalen-1-yl)pentanoic acid
CID 113306220
4-(5-methoxy-1H-indol-3-yl)pentanoic acid
CID 115420787
2-[(3-butan-2-yl-1H-indol-4-yl)oxy]acetic acid
CID 71737103
(1R,2R)-2-(4-chloro-1H-indol-3-yl)-1,2-diphenylethanol
CID 72707576
3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 58088510
3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
CID 58088517

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1H-indol-3-yl)pentanoic acid?
The IUPAC name of 4-(4-chloro-1H-indol-3-yl)pentanoic acid (CID 115420859) is 4-(4-chloro-1H-indol-3-yl)pentanoic acid.
What is the SMILES notation for 4-(4-chloro-1H-indol-3-yl)pentanoic acid?
The canonical SMILES for 4-(4-chloro-1H-indol-3-yl)pentanoic acid is CC(CCC(=O)O)c1c[nH]c2cccc(Cl)c12.
What is the InChIKey of 4-(4-chloro-1H-indol-3-yl)pentanoic acid?
The InChIKey is GZFWONCTOAKASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-8(5-6-12(16)17)9-7-15-11-4-2-3-10(14)13(9)11/h2-4,7-8,15H,5-6H2,1H3,(H,16,17).
What are the key properties of 4-(4-chloro-1H-indol-3-yl)pentanoic acid?
4-(4-chloro-1H-indol-3-yl)pentanoic acid has a molecular weight of 251.71 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1H-indol-3-yl)pentanoic acid is sourced from PubChem (CID 115420859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).