methyl 2-amino-5-methyl-1H-indole-3-carboxylate

C11H12N2O2 — CID 112695143

IUPACmethyl 2-amino-5-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(N)[nH]c2ccc(C)cc12
InChIInChI=1S/C11H12N2O2/c1-6-3-4-8-7(5-6)9(10(12)13-8)11(14)15-2/h3-5,13H,12H2,1-2H3
InChIKeyFEPKVBZGPFXQNI-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.85
Rot. Bonds1

About methyl 2-amino-5-methyl-1H-indole-3-carboxylate

methyl 2-amino-5-methyl-1H-indole-3-carboxylate (PubChem CID 112695143) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl 2-amino-5-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-methyl-1H-indole-3-carboxylate
PubChem CID112695143
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl 2-amino-5-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(N)[nH]c2ccc(C)cc12
InChIInChI=1S/C11H12N2O2/c1-6-3-4-8-7(5-6)9(10(12)13-8)11(14)15-2/h3-5,13H,12H2,1-2H3
InChIKeyFEPKVBZGPFXQNI-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 3-amino-6-methyl-1H-indole-2-carboxylate
CID 4777916
methyl 2,6-dimethyl-1H-indole-3-carboxylate
CID 74890490
methyl 2-amino-6-(trifluoromethyl)-1H-indole-3-carboxylate
CID 614749
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 76852322
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
3-amino-5-methyl-1H-indole-2-carbohydrazide
CID 933858
methyl 5-(dimethylamino)-2-methyl-1H-indole-3-carboxylate
CID 165344692
2-O-ethyl 3-O-methyl 5-fluoro-1H-indole-2,3-dicarboxylate
CID 138980470
methyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 20937742
3,6-dimethyl-9H-carbazole
CID 144942624
methyl 2,6-diamino-4-methylbenzoate
CID 57005581
2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid
CID 115038738

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-methyl-1H-indole-3-carboxylate?
The IUPAC name of methyl 2-amino-5-methyl-1H-indole-3-carboxylate (CID 112695143) is methyl 2-amino-5-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-methyl-1H-indole-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-methyl-1H-indole-3-carboxylate is COC(=O)c1c(N)[nH]c2ccc(C)cc12.
What is the InChIKey of methyl 2-amino-5-methyl-1H-indole-3-carboxylate?
The InChIKey is FEPKVBZGPFXQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-6-3-4-8-7(5-6)9(10(12)13-8)11(14)15-2/h3-5,13H,12H2,1-2H3.
What are the key properties of methyl 2-amino-5-methyl-1H-indole-3-carboxylate?
methyl 2-amino-5-methyl-1H-indole-3-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 2-amino-5-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 112695143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).