ethyl 5-amino-7-methoxy-1H-indole-2-carboxylate

C12H14N2O3 — CID 15231750

IUPACethyl 5-amino-7-methoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(N)cc(OC)c2[nH]1
InChIInChI=1S/C12H14N2O3/c1-3-17-12(15)9-5-7-4-8(13)6-10(16-2)11(7)14-9/h4-6,14H,3,13H2,1-2H3
InChIKeyNEFPECXRXOVPEA-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.94
Rot. Bonds3

About ethyl 5-amino-7-methoxy-1H-indole-2-carboxylate

ethyl 5-amino-7-methoxy-1H-indole-2-carboxylate (PubChem CID 15231750) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 5-amino-7-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-7-methoxy-1H-indole-2-carboxylate
PubChem CID15231750
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nameethyl 5-amino-7-methoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(N)cc(OC)c2[nH]1
InChIInChI=1S/C12H14N2O3/c1-3-17-12(15)9-5-7-4-8(13)6-10(16-2)11(7)14-9/h4-6,14H,3,13H2,1-2H3
InChIKeyNEFPECXRXOVPEA-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
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

ethyl 5-cyano-7-methoxy-1H-indole-2-carboxylate
CID 165348341
ethyl 6-chloro-7-fluoro-5-methoxy-1H-indole-2-carboxylate
CID 164549234
ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate
CID 19042831
ethyl 5-iodo-6-methoxy-1H-indole-2-carboxylate
CID 118029444
ethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate
CID 168946890
ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
ethyl 7-amino-5-(methylsulfanylmethoxy)-1H-indole-2-carboxylate
CID 59428733
ethyl 7-amino-5-propoxy-1H-indole-2-carboxylate;methanol
CID 143825662
ethyl 7-prop-2-enyl-1H-indole-2-carboxylate
CID 10398931
diethyl 7-thia-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11558576
diethyl 11-ethyl-4,11,18-triazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene-5,17-dicarboxylate
CID 177492288

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-7-methoxy-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-amino-7-methoxy-1H-indole-2-carboxylate (CID 15231750) is ethyl 5-amino-7-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-amino-7-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-amino-7-methoxy-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(N)cc(OC)c2[nH]1.
What is the InChIKey of ethyl 5-amino-7-methoxy-1H-indole-2-carboxylate?
The InChIKey is NEFPECXRXOVPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-17-12(15)9-5-7-4-8(13)6-10(16-2)11(7)14-9/h4-6,14H,3,13H2,1-2H3.
What are the key properties of ethyl 5-amino-7-methoxy-1H-indole-2-carboxylate?
ethyl 5-amino-7-methoxy-1H-indole-2-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-7-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 15231750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).