ethyl 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate

C11H15NO3 — CID 7116138

IUPACethyl 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(N)oc2c1CCCC2
InChIInChI=1S/C11H15NO3/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h2-6,12H2,1H3
InChIKeySEZHAAMTLFXSDQ-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.92
Rot. Bonds2

About ethyl 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate

ethyl 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate (PubChem CID 7116138) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate
PubChem CID7116138
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(N)oc2c1CCCC2
InChIInChI=1S/C11H15NO3/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h2-6,12H2,1H3
InChIKeySEZHAAMTLFXSDQ-UHFFFAOYSA-N
XLogP1.92
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate (CID 7116138) is ethyl 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate is CCOC(=O)c1c(N)oc2c1CCCC2.
What is the InChIKey of ethyl 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate?
The InChIKey is SEZHAAMTLFXSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h2-6,12H2,1H3.
What are the key properties of ethyl 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate?
ethyl 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate has a molecular weight of 209.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate is sourced from PubChem (CID 7116138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).