[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid

C16H20N2O6 — CID 90674869

IUPAC[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid
SMILESCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1.O=C(O)C(=O)O
InChIInChI=1S/C14H18N2O2.C2H2O4/c1-10(17)18-12-4-5-14-13(8-12)11(9-15-14)6-7-16(2)3;3-1(4)2(5)6/h4-5,8-9,15H,6-7H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyUMWZWVYJJZZIKJ-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.35
Rot. Bonds4

About [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid

[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid (PubChem CID 90674869) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid
PubChem CID90674869
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid
SMILESCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1.O=C(O)C(=O)O
InChIInChI=1S/C14H18N2O2.C2H2O4/c1-10(17)18-12-4-5-14-13(8-12)11(9-15-14)6-7-16(2)3;3-1(4)2(5)6/h4-5,8-9,15H,6-7H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyUMWZWVYJJZZIKJ-UHFFFAOYSA-N
XLogP1.35
TPSA119.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic 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

2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid
CID 19042892
N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine
CID 123587911
[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate
CID 169222529
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylacetamide
CID 22367215
4-[[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl]oxy]-4-oxobutanoic acid
CID 169222132
N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 22144617
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
acetic acid;3-(5-acetyloxy-1H-indol-3-yl)-2-aminopropanoic acid
CID 23319769
(E)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]oxy]-4-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]but-3-en-2-one
CID 85469343
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]oxy]oxane-2-carboxylate
CID 23267950
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid?
The IUPAC name of [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid (CID 90674869) is [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid?
The canonical SMILES for [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid is CC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1.O=C(O)C(=O)O.
What is the InChIKey of [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid?
The InChIKey is UMWZWVYJJZZIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.C2H2O4/c1-10(17)18-12-4-5-14-13(8-12)11(9-15-14)6-7-16(2)3;3-1(4)2(5)6/h4-5,8-9,15H,6-7H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid?
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid has a molecular weight of 336.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid is sourced from PubChem (CID 90674869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).