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

C12H14N2O3 — CID 61309847

IUPAC2-methoxyethyl 6-amino-1H-indole-3-carboxylate
SMILESCOCCOC(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C12H14N2O3/c1-16-4-5-17-12(15)10-7-14-11-6-8(13)2-3-9(10)11/h2-3,6-7,14H,4-5,13H2,1H3
InChIKeyUCLJITJXPNIUDZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.55
Rot. Bonds4

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

2-methoxyethyl 6-amino-1H-indole-3-carboxylate (PubChem CID 61309847) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-methoxyethyl 6-amino-1H-indole-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 6-amino-1H-indole-3-carboxylate
PubChem CID61309847
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-methoxyethyl 6-amino-1H-indole-3-carboxylate
SMILESCOCCOC(=O)c1c[nH]c2cc(N)ccc12
InChIInChI=1S/C12H14N2O3/c1-16-4-5-17-12(15)10-7-14-11-6-8(13)2-3-9(10)11/h2-3,6-7,14H,4-5,13H2,1H3
InChIKeyUCLJITJXPNIUDZ-UHFFFAOYSA-N
XLogP1.55
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
CID 61095149
2-methylpentyl 6-amino-1H-indole-3-carboxylate
CID 103284577
ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate
CID 61498215
6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide
CID 61089726
6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
CID 115597694
1-(6-amino-1H-indol-3-yl)-2-phenylethanone
CID 57257325
6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide
CID 61094974
6-amino-N-(2-hydroxypropyl)-N-methyl-1H-indole-3-carboxamide
CID 62334013
6-amino-N-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-3-carboxamide
CID 63694066
6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide
CID 115405243
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide
CID 107211217
6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide
CID 61091496

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 6-amino-1H-indole-3-carboxylate?
The IUPAC name of 2-methoxyethyl 6-amino-1H-indole-3-carboxylate (CID 61309847) is 2-methoxyethyl 6-amino-1H-indole-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 6-amino-1H-indole-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 6-amino-1H-indole-3-carboxylate is COCCOC(=O)c1c[nH]c2cc(N)ccc12.
What is the InChIKey of 2-methoxyethyl 6-amino-1H-indole-3-carboxylate?
The InChIKey is UCLJITJXPNIUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-16-4-5-17-12(15)10-7-14-11-6-8(13)2-3-9(10)11/h2-3,6-7,14H,4-5,13H2,1H3.
What are the key properties of 2-methoxyethyl 6-amino-1H-indole-3-carboxylate?
2-methoxyethyl 6-amino-1H-indole-3-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 6-amino-1H-indole-3-carboxylate is sourced from PubChem (CID 61309847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).