methyl 3-amino-6-methyl-1H-indole-2-carboxylate

C11H12N2O2 — CID 4777916

IUPACmethyl 3-amino-6-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(C)ccc2c1N
InChIInChI=1S/C11H12N2O2/c1-6-3-4-7-8(5-6)13-10(9(7)12)11(14)15-2/h3-5,13H,12H2,1-2H3
InChIKeyKEBFELQWJLMOPP-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.85
Rot. Bonds1

About methyl 3-amino-6-methyl-1H-indole-2-carboxylate

methyl 3-amino-6-methyl-1H-indole-2-carboxylate (PubChem CID 4777916) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl 3-amino-6-methyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-methyl-1H-indole-2-carboxylate
PubChem CID4777916
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl 3-amino-6-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(C)ccc2c1N
InChIInChI=1S/C11H12N2O2/c1-6-3-4-7-8(5-6)13-10(9(7)12)11(14)15-2/h3-5,13H,12H2,1-2H3
InChIKeyKEBFELQWJLMOPP-UHFFFAOYSA-N
XLogP1.85
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2,6-dimethyl-1H-indole-3-carboxylate
CID 74890490
methyl 3-amino-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
CID 46942072
methyl 2-amino-5-methyl-1H-indole-3-carboxylate
CID 112695143
3-amino-5-methyl-1H-indole-2-carbohydrazide
CID 933858
3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride
CID 112756295
ethyl 2-(3,6-dimethyl-1H-indol-2-yl)-2-oxoacetate
CID 115072754
methyl 9-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-4-carboxylate
CID 71518904
methyl 3-[[2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-6-methyl-1H-indole-2-carboxylate
CID 7524670
methyl 3-amino-1,6-dimethylindole-2-carboxylate
CID 4777734
methyl 3-amino-4-chloro-1H-indole-2-carboxylate
CID 4777731
methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate
CID 54107367
methyl 6-methyl-3-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 7528545

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-methyl-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-amino-6-methyl-1H-indole-2-carboxylate (CID 4777916) is methyl 3-amino-6-methyl-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-methyl-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-methyl-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cc(C)ccc2c1N.
What is the InChIKey of methyl 3-amino-6-methyl-1H-indole-2-carboxylate?
The InChIKey is KEBFELQWJLMOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-6-3-4-7-8(5-6)13-10(9(7)12)11(14)15-2/h3-5,13H,12H2,1-2H3.
What are the key properties of methyl 3-amino-6-methyl-1H-indole-2-carboxylate?
methyl 3-amino-6-methyl-1H-indole-2-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-methyl-1H-indole-2-carboxylate is sourced from PubChem (CID 4777916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).