5-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-5-oxopentanoic acid

C19H24N2O4 — CID 169222343

IUPAC5-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-5-oxopentanoic acid
SMILESC=CCN(C)CCc1c[nH]c2cc(OC(=O)CCCC(=O)O)ccc12
InChIInChI=1S/C19H24N2O4/c1-3-10-21(2)11-9-14-13-20-17-12-15(7-8-16(14)17)25-19(24)6-4-5-18(22)23/h3,7-8,12-13,20H,1,4-6,9-11H2,2H3,(H,22,23)
InChIKeyDNJFXMGWHBOLCA-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.99
Rot. Bonds10

About 5-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-5-oxopentanoic acid

5-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-5-oxopentanoic acid (PubChem CID 169222343) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 5-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-5-oxopentanoic acid
PubChem CID169222343
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name5-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-5-oxopentanoic acid
SMILESC=CCN(C)CCc1c[nH]c2cc(OC(=O)CCCC(=O)O)ccc12
InChIInChI=1S/C19H24N2O4/c1-3-10-21(2)11-9-14-13-20-17-12-15(7-8-16(14)17)25-19(24)6-4-5-18(22)23/h3,7-8,12-13,20H,1,4-6,9-11H2,2H3,(H,22,23)
InChIKeyDNJFXMGWHBOLCA-UHFFFAOYSA-N
XLogP2.99
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

3-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-3-oxopropanoic acid
CID 169222205
4-[[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-4-oxobutanoic acid
CID 169222568
6-[[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-5-yl]oxy]-6-oxohexanoic acid
CID 169222262
4-[[3-[2-[ethyl(prop-2-enyl)amino]ethyl]-1H-indol-5-yl]oxy]-4-oxobutanoic acid
CID 169222564
5-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-5-oxopentanoic acid
CID 169222605
6-[[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]oxy]hexanoic acid
CID 175491937
4-[[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl]oxy]-4-oxobutanoic acid
CID 169222132
[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl] butanoate
CID 169222076
[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-5-yl] dihydrogen phosphate
CID 169222483
[3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate
CID 170558359
6-[[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-7-yl]oxy]-6-oxohexanoic acid
CID 169222144
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-5-oxopentanoic acid?
The IUPAC name of 5-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-5-oxopentanoic acid (CID 169222343) is 5-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-5-oxopentanoic acid?
The canonical SMILES for 5-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-5-oxopentanoic acid is C=CCN(C)CCc1c[nH]c2cc(OC(=O)CCCC(=O)O)ccc12.
What is the InChIKey of 5-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-5-oxopentanoic acid?
The InChIKey is DNJFXMGWHBOLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-3-10-21(2)11-9-14-13-20-17-12-15(7-8-16(14)17)25-19(24)6-4-5-18(22)23/h3,7-8,12-13,20H,1,4-6,9-11H2,2H3,(H,22,23).
What are the key properties of 5-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-5-oxopentanoic acid?
5-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-5-oxopentanoic acid has a molecular weight of 344.41 g/mol, XLogP of 2.99, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-5-oxopentanoic acid is sourced from PubChem (CID 169222343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).