methyl 2-(6-amino-4-methoxy-1H-indol-2-yl)acetate

C12H14N2O3 — CID 141315386

IUPACmethyl 2-(6-amino-4-methoxy-1H-indol-2-yl)acetate
SMILESCOC(=O)Cc1cc2c(OC)cc(N)cc2[nH]1
InChIInChI=1S/C12H14N2O3/c1-16-11-4-7(13)3-10-9(11)5-8(14-10)6-12(15)17-2/h3-5,14H,6,13H2,1-2H3
InChIKeyJGESLCYOSPJEAA-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.47
Rot. Bonds3

About methyl 2-(6-amino-4-methoxy-1H-indol-2-yl)acetate

methyl 2-(6-amino-4-methoxy-1H-indol-2-yl)acetate (PubChem CID 141315386) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 2-(6-amino-4-methoxy-1H-indol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-amino-4-methoxy-1H-indol-2-yl)acetate
PubChem CID141315386
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl 2-(6-amino-4-methoxy-1H-indol-2-yl)acetate
SMILESCOC(=O)Cc1cc2c(OC)cc(N)cc2[nH]1
InChIInChI=1S/C12H14N2O3/c1-16-11-4-7(13)3-10-9(11)5-8(14-10)6-12(15)17-2/h3-5,14H,6,13H2,1-2H3
InChIKeyJGESLCYOSPJEAA-UHFFFAOYSA-N
XLogP1.47
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4-hydroxy-6-methyl-1H-indol-2-yl)acetate
CID 131413897
methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 54542343
methyl 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134680684
2-(4-methoxy-1H-indol-2-yl)acetic acid
CID 28806414
(4-amino-2,6-dimethoxyphenyl) 2-bromoacetate
CID 169174746
methyl 6-amino-4-prop-2-enoxy-1H-indole-2-carboxylate
CID 90682237
methyl 4-(5-amino-2-methoxy-3-methylphenoxy)butanoate
CID 57279773
1-(5-amino-2,3-dimethoxyphenyl)ethanone
CID 142498186
methyl 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetate
CID 7063826
methyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 39234890
ethyl 2-(7-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 13064085
methyl 2-(6-nitro-4-oxo-1H-pyridin-2-yl)acetate
CID 133097126

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-amino-4-methoxy-1H-indol-2-yl)acetate?
The IUPAC name of methyl 2-(6-amino-4-methoxy-1H-indol-2-yl)acetate (CID 141315386) is methyl 2-(6-amino-4-methoxy-1H-indol-2-yl)acetate.
What is the SMILES notation for methyl 2-(6-amino-4-methoxy-1H-indol-2-yl)acetate?
The canonical SMILES for methyl 2-(6-amino-4-methoxy-1H-indol-2-yl)acetate is COC(=O)Cc1cc2c(OC)cc(N)cc2[nH]1.
What is the InChIKey of methyl 2-(6-amino-4-methoxy-1H-indol-2-yl)acetate?
The InChIKey is JGESLCYOSPJEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-16-11-4-7(13)3-10-9(11)5-8(14-10)6-12(15)17-2/h3-5,14H,6,13H2,1-2H3.
What are the key properties of methyl 2-(6-amino-4-methoxy-1H-indol-2-yl)acetate?
methyl 2-(6-amino-4-methoxy-1H-indol-2-yl)acetate has a molecular weight of 234.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-amino-4-methoxy-1H-indol-2-yl)acetate is sourced from PubChem (CID 141315386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).