4-[3-(4-methylpentyl)indol-1-yl]butanoic acid

C18H25NO2 — CID 57168654

IUPAC4-[3-(4-methylpentyl)indol-1-yl]butanoic acid
SMILESCC(C)CCCc1cn(CCCC(=O)O)c2ccccc12
InChIInChI=1S/C18H25NO2/c1-14(2)7-5-8-15-13-19(12-6-11-18(20)21)17-10-4-3-9-16(15)17/h3-4,9-10,13-14H,5-8,11-12H2,1-2H3,(H,20,21)
InChIKeyFODBSNLTCMFMBK-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.48
Rot. Bonds8

About 4-[3-(4-methylpentyl)indol-1-yl]butanoic acid

4-[3-(4-methylpentyl)indol-1-yl]butanoic acid (PubChem CID 57168654) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-[3-(4-methylpentyl)indol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[3-(4-methylpentyl)indol-1-yl]butanoic acid
PubChem CID57168654
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name4-[3-(4-methylpentyl)indol-1-yl]butanoic acid
SMILESCC(C)CCCc1cn(CCCC(=O)O)c2ccccc12
InChIInChI=1S/C18H25NO2/c1-14(2)7-5-8-15-13-19(12-6-11-18(20)21)17-10-4-3-9-16(15)17/h3-4,9-10,13-14H,5-8,11-12H2,1-2H3,(H,20,21)
InChIKeyFODBSNLTCMFMBK-UHFFFAOYSA-N
XLogP4.48
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid
CID 114525705
4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid
CID 43246925
[1-(4-methylpentyl)indol-3-yl]methanol
CID 83158381
4-(3-octadeca-9,12-dienylindol-1-yl)butanoic acid
CID 54369650
3-[1-(3-cyanopropyl)indol-3-yl]propanoic acid
CID 28600015
3-[1-(3-hydroxy-3-methylbutyl)indol-3-yl]propanoic acid
CID 79354758
4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanoic acid
CID 53212403
3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid
CID 43457264
4-[1-(3-carboxypropyl)indol-3-yl]-4-oxobutanoic acid
CID 22400520
4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid
CID 65458314
2-[1-(3-cyanopropyl)indol-3-yl]acetic acid
CID 28599811
2-(4-methylpentanoylamino)-3-(1-propylindol-3-yl)propanoic acid
CID 139679248

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpentyl)indol-1-yl]butanoic acid?
The IUPAC name of 4-[3-(4-methylpentyl)indol-1-yl]butanoic acid (CID 57168654) is 4-[3-(4-methylpentyl)indol-1-yl]butanoic acid.
What is the SMILES notation for 4-[3-(4-methylpentyl)indol-1-yl]butanoic acid?
The canonical SMILES for 4-[3-(4-methylpentyl)indol-1-yl]butanoic acid is CC(C)CCCc1cn(CCCC(=O)O)c2ccccc12.
What is the InChIKey of 4-[3-(4-methylpentyl)indol-1-yl]butanoic acid?
The InChIKey is FODBSNLTCMFMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14(2)7-5-8-15-13-19(12-6-11-18(20)21)17-10-4-3-9-16(15)17/h3-4,9-10,13-14H,5-8,11-12H2,1-2H3,(H,20,21).
What are the key properties of 4-[3-(4-methylpentyl)indol-1-yl]butanoic acid?
4-[3-(4-methylpentyl)indol-1-yl]butanoic acid has a molecular weight of 287.40 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpentyl)indol-1-yl]butanoic acid is sourced from PubChem (CID 57168654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).