methyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate

C15H20N2O2 — CID 116955537

IUPACmethyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate
SMILESCNC(CCC(=O)OC)c1cn(C)c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-16-13(8-9-15(18)19-3)12-10-17(2)14-7-5-4-6-11(12)14/h4-7,10,13,16H,8-9H2,1-3H3
InChIKeyYVRSRABIVGIFMG-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.39
Rot. Bonds5

About methyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate

methyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate (PubChem CID 116955537) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is methyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate
PubChem CID116955537
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namemethyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate
SMILESCNC(CCC(=O)OC)c1cn(C)c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-16-13(8-9-15(18)19-3)12-10-17(2)14-7-5-4-6-11(12)14/h4-7,10,13,16H,8-9H2,1-3H3
InChIKeyYVRSRABIVGIFMG-UHFFFAOYSA-N
XLogP2.39
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate 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

N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine
CID 116949455
N-methyl-1-(1-methylindol-3-yl)-2-methylsulfanylethanamine
CID 116830387
methyl 2-(1-methylindol-3-yl)propanoate
CID 11117483
ethyl 3,3-bis(1-methylindol-3-yl)propanoate
CID 11566677
4-(2-methoxyphenyl)-4-(methylamino)butanoic acid
CID 112517908
methyl 2-[methyl-(1-methylindol-3-yl)amino]acetate
CID 115232780
ethyl (3S)-3-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
CID 171226492
(E)-4-(methylamino)-4-(1-methylindol-3-yl)but-2-enoic acid
CID 116956323
N-methyl-1-(1-methylindol-3-yl)-2-pyrrolidin-2-ylethanamine
CID 116951474
3-hydroxy-3-(1-methylindol-3-yl)propanoic acid
CID 130117642
1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol
CID 116859440
6-(1-methylindol-3-yl)heptanoic acid
CID 112512728

Frequently Asked Questions

What is the IUPAC name of methyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate?
The IUPAC name of methyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate (CID 116955537) is methyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate.
What is the SMILES notation for methyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate?
The canonical SMILES for methyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate is CNC(CCC(=O)OC)c1cn(C)c2ccccc12.
What is the InChIKey of methyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate?
The InChIKey is YVRSRABIVGIFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-16-13(8-9-15(18)19-3)12-10-17(2)14-7-5-4-6-11(12)14/h4-7,10,13,16H,8-9H2,1-3H3.
What are the key properties of methyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate?
methyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate has a molecular weight of 260.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate is sourced from PubChem (CID 116955537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).