methyl 2-[methyl-(1-methylindol-3-yl)amino]acetate

C13H16N2O2 — CID 115232780

IUPACmethyl 2-[methyl-(1-methylindol-3-yl)amino]acetate
SMILESCOC(=O)CN(C)c1cn(C)c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-14-8-12(15(2)9-13(16)17-3)10-6-4-5-7-11(10)14/h4-8H,9H2,1-3H3
InChIKeyGBLPQUDBBYTOJT-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.79
Rot. Bonds3

About methyl 2-[methyl-(1-methylindol-3-yl)amino]acetate

methyl 2-[methyl-(1-methylindol-3-yl)amino]acetate (PubChem CID 115232780) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 2-[methyl-(1-methylindol-3-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(1-methylindol-3-yl)amino]acetate
PubChem CID115232780
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namemethyl 2-[methyl-(1-methylindol-3-yl)amino]acetate
SMILESCOC(=O)CN(C)c1cn(C)c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-14-8-12(15(2)9-13(16)17-3)10-6-4-5-7-11(10)14/h4-8H,9H2,1-3H3
InChIKeyGBLPQUDBBYTOJT-UHFFFAOYSA-N
XLogP1.79
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1-(1-methylindol-3-yl)urea
CID 115168227
N'-methyl-N'-(1-methylindol-3-yl)-N-propan-2-ylethane-1,2-diamine
CID 115206371
3-amino-1-methyl-1-(1-methylindol-3-yl)urea
CID 115192506
4-amino-1-[methyl-(1-methylindol-3-yl)amino]butan-2-ol
CID 117039109
methyl 2-(2-bromo-N-methylanilino)acetate
CID 115232844
1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine
CID 115200498
1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one
CID 115234876
methyl 4-(methylamino)-4-(1-methylindol-3-yl)butanoate
CID 116955537
3-amino-N,2,2-trimethyl-N-(1-methylindol-3-yl)propanamide
CID 115154587
ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-1-methyl-2-oxoquinoline-3-carboxylate
CID 71010244
1-N-methyl-1-N-(1-methylindol-3-yl)pentane-1,4-diamine
CID 115203715
methyl 2-(2-carbamothioyl-N-methylanilino)acetate
CID 28602163

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(1-methylindol-3-yl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(1-methylindol-3-yl)amino]acetate (CID 115232780) is methyl 2-[methyl-(1-methylindol-3-yl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(1-methylindol-3-yl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(1-methylindol-3-yl)amino]acetate is COC(=O)CN(C)c1cn(C)c2ccccc12.
What is the InChIKey of methyl 2-[methyl-(1-methylindol-3-yl)amino]acetate?
The InChIKey is GBLPQUDBBYTOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-14-8-12(15(2)9-13(16)17-3)10-6-4-5-7-11(10)14/h4-8H,9H2,1-3H3.
What are the key properties of methyl 2-[methyl-(1-methylindol-3-yl)amino]acetate?
methyl 2-[methyl-(1-methylindol-3-yl)amino]acetate has a molecular weight of 232.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(1-methylindol-3-yl)amino]acetate is sourced from PubChem (CID 115232780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).