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

C17H24N2O2 — CID 114525705

IUPAC4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid
SMILESCN(C)CCCn1cc(CCCC(=O)O)c2ccccc21
InChIInChI=1S/C17H24N2O2/c1-18(2)11-6-12-19-13-14(7-5-10-17(20)21)15-8-3-4-9-16(15)19/h3-4,8-9,13H,5-7,10-12H2,1-2H3,(H,20,21)
InChIKeyPLWPPDNELXXORA-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.00
Rot. Bonds8

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

4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid (PubChem CID 114525705) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid
PubChem CID114525705
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid
SMILESCN(C)CCCn1cc(CCCC(=O)O)c2ccccc21
InChIInChI=1S/C17H24N2O2/c1-18(2)11-6-12-19-13-14(7-5-10-17(20)21)15-8-3-4-9-16(15)19/h3-4,8-9,13H,5-7,10-12H2,1-2H3,(H,20,21)
InChIKeyPLWPPDNELXXORA-UHFFFAOYSA-N
XLogP3.00
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid
CID 43246925
N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine
CID 70686044
2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol
CID 170866980
4-[3-(4-methylpentyl)indol-1-yl]butanoic acid
CID 57168654
3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 71025575
3-(1-ethylindol-3-yl)-N,N-dimethylpropan-1-amine
CID 158239004
4-(3-octadeca-9,12-dienylindol-1-yl)butanoic acid
CID 54369650
4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanoic acid
CID 53212403
3-[1-(3-cyanopropyl)indol-3-yl]propanoic acid
CID 28600015
4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid
CID 65458314
3-[1-(3-hydroxy-3-methylbutyl)indol-3-yl]propanoic acid
CID 79354758
2-[1-[2-(dimethylamino)ethyl]indol-3-yl]ethanamine
CID 10421424

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid?
The IUPAC name of 4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid (CID 114525705) is 4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid.
What is the SMILES notation for 4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid?
The canonical SMILES for 4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid is CN(C)CCCn1cc(CCCC(=O)O)c2ccccc21.
What is the InChIKey of 4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid?
The InChIKey is PLWPPDNELXXORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18(2)11-6-12-19-13-14(7-5-10-17(20)21)15-8-3-4-9-16(15)19/h3-4,8-9,13H,5-7,10-12H2,1-2H3,(H,20,21).
What are the key properties of 4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid?
4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid has a molecular weight of 288.39 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid is sourced from PubChem (CID 114525705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).