methyl 2-[(1-methylindol-5-yl)amino]acetate

C12H14N2O2 — CID 82539684

IUPACmethyl 2-[(1-methylindol-5-yl)amino]acetate
SMILESCOC(=O)CNc1ccc2c(ccn2C)c1
InChIInChI=1S/C12H14N2O2/c1-14-6-5-9-7-10(3-4-11(9)14)13-8-12(15)16-2/h3-7,13H,8H2,1-2H3
InChIKeyCZFORUDXJKZCFN-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.76
Rot. Bonds3

About methyl 2-[(1-methylindol-5-yl)amino]acetate

methyl 2-[(1-methylindol-5-yl)amino]acetate (PubChem CID 82539684) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is methyl 2-[(1-methylindol-5-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-methylindol-5-yl)amino]acetate
PubChem CID82539684
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Namemethyl 2-[(1-methylindol-5-yl)amino]acetate
SMILESCOC(=O)CNc1ccc2c(ccn2C)c1
InChIInChI=1S/C12H14N2O2/c1-14-6-5-9-7-10(3-4-11(9)14)13-8-12(15)16-2/h3-7,13H,8H2,1-2H3
InChIKeyCZFORUDXJKZCFN-UHFFFAOYSA-N
XLogP1.76
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylindol-5-yl)amino]acetate?
The IUPAC name of methyl 2-[(1-methylindol-5-yl)amino]acetate (CID 82539684) is methyl 2-[(1-methylindol-5-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(1-methylindol-5-yl)amino]acetate?
The canonical SMILES for methyl 2-[(1-methylindol-5-yl)amino]acetate is COC(=O)CNc1ccc2c(ccn2C)c1.
What is the InChIKey of methyl 2-[(1-methylindol-5-yl)amino]acetate?
The InChIKey is CZFORUDXJKZCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-14-6-5-9-7-10(3-4-11(9)14)13-8-12(15)16-2/h3-7,13H,8H2,1-2H3.
What are the key properties of methyl 2-[(1-methylindol-5-yl)amino]acetate?
methyl 2-[(1-methylindol-5-yl)amino]acetate has a molecular weight of 218.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylindol-5-yl)amino]acetate is sourced from PubChem (CID 82539684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).