methyl 2-(7-aminoindol-1-yl)acetate

C11H12N2O2 — CID 114935904

IUPACmethyl 2-(7-aminoindol-1-yl)acetate
SMILESCOC(=O)Cn1ccc2cccc(N)c21
InChIInChI=1S/C11H12N2O2/c1-15-10(14)7-13-6-5-8-3-2-4-9(12)11(8)13/h2-6H,7,12H2,1H3
InChIKeyRBAOJPJNBUPFBX-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.40
Rot. Bonds2

About methyl 2-(7-aminoindol-1-yl)acetate

methyl 2-(7-aminoindol-1-yl)acetate (PubChem CID 114935904) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl 2-(7-aminoindol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-aminoindol-1-yl)acetate
PubChem CID114935904
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl 2-(7-aminoindol-1-yl)acetate
SMILESCOC(=O)Cn1ccc2cccc(N)c21
InChIInChI=1S/C11H12N2O2/c1-15-10(14)7-13-6-5-8-3-2-4-9(12)11(8)13/h2-6H,7,12H2,1H3
InChIKeyRBAOJPJNBUPFBX-UHFFFAOYSA-N
XLogP1.40
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate
CID 102912191
2-(7-aminoindol-1-yl)-N-(cyanomethyl)acetamide
CID 114935885
methyl 2-[7-[(2-methoxyethylamino)methyl]indol-1-yl]acetate
CID 102915321
2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 114935756
2-(7-aminoindol-1-yl)-N-(4-chlorophenyl)acetamide
CID 114935940
1-[(4-methoxyphenyl)methyl]indol-7-amine
CID 114935856
1-(2-propoxyethyl)indol-7-amine
CID 106452734
ethyl 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetate
CID 102915277
methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 82345280
1-[(6-methyl-2-pyridinyl)methyl]indol-7-amine
CID 114935790
1-[(4-methylphenyl)methyl]indol-7-amine
CID 114935703
ethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 102914953

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-aminoindol-1-yl)acetate?
The IUPAC name of methyl 2-(7-aminoindol-1-yl)acetate (CID 114935904) is methyl 2-(7-aminoindol-1-yl)acetate.
What is the SMILES notation for methyl 2-(7-aminoindol-1-yl)acetate?
The canonical SMILES for methyl 2-(7-aminoindol-1-yl)acetate is COC(=O)Cn1ccc2cccc(N)c21.
What is the InChIKey of methyl 2-(7-aminoindol-1-yl)acetate?
The InChIKey is RBAOJPJNBUPFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-10(14)7-13-6-5-8-3-2-4-9(12)11(8)13/h2-6H,7,12H2,1H3.
What are the key properties of methyl 2-(7-aminoindol-1-yl)acetate?
methyl 2-(7-aminoindol-1-yl)acetate has a molecular weight of 204.23 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-aminoindol-1-yl)acetate is sourced from PubChem (CID 114935904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).