methyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate

C13H16N2O3 — CID 71200688

IUPACmethyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c2c(O)ccc(CCN)c12
InChIInChI=1S/C13H16N2O3/c1-7-10(13(17)18-2)11-8(5-6-14)3-4-9(16)12(11)15-7/h3-4,15-16H,5-6,14H2,1-2H3
InChIKeyHSLBOEXZUVMSDX-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.47
Rot. Bonds3

About methyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate

methyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate (PubChem CID 71200688) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate
PubChem CID71200688
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c2c(O)ccc(CCN)c12
InChIInChI=1S/C13H16N2O3/c1-7-10(13(17)18-2)11-8(5-6-14)3-4-9(16)12(11)15-7/h3-4,15-16H,5-6,14H2,1-2H3
InChIKeyHSLBOEXZUVMSDX-UHFFFAOYSA-N
XLogP1.47
TPSA88.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-aminoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 55254534
methyl 4,6-difluoro-7-methoxy-2-methyl-1H-indole-3-carboxylate
CID 170903598
1-O-ethyl 2-O-methyl 4-(2-aminoethyl)-3-methylbenzene-1,2-dicarboxylate
CID 67753208
4-(2-aminoethyl)-7-hydroxy-1,2-dihydroindazol-3-one;hydrobromide
CID 131716579
methyl 4-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 70166553
7-hydroxy-2,4-dimethyl-1H-indole-3-carboxylic acid
CID 105457119
methyl (8S)-8-ethyl-4-hydroxy-2-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate
CID 59274200
methyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate
CID 117301162
methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate
CID 121220626
methyl 2-(2-aminoethyl)-5-iodobenzoate
CID 44828945
methyl 5-[(2-hydroxyphenyl)methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 51083201
methyl 2-methyl-4-oxo-3H-chromeno[3,4-b]pyrrole-1-carboxylate
CID 46873555

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate?
The IUPAC name of methyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate (CID 71200688) is methyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for methyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate is COC(=O)c1c(C)[nH]c2c(O)ccc(CCN)c12.
What is the InChIKey of methyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate?
The InChIKey is HSLBOEXZUVMSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-7-10(13(17)18-2)11-8(5-6-14)3-4-9(16)12(11)15-7/h3-4,15-16H,5-6,14H2,1-2H3.
What are the key properties of methyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate?
methyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 71200688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).