diethyl 2-amino-5-methylfuran-3,4-dicarboxylate

C11H15NO5 — CID 2463159

IUPACdiethyl 2-amino-5-methylfuran-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C)oc(N)c1C(=O)OCC
InChIInChI=1S/C11H15NO5/c1-4-15-10(13)7-6(3)17-9(12)8(7)11(14)16-5-2/h4-5,12H2,1-3H3
InChIKeyKJHBLQGLKJXASY-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.52
Rot. Bonds4

About diethyl 2-amino-5-methylfuran-3,4-dicarboxylate

diethyl 2-amino-5-methylfuran-3,4-dicarboxylate (PubChem CID 2463159) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is diethyl 2-amino-5-methylfuran-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-amino-5-methylfuran-3,4-dicarboxylate
PubChem CID2463159
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Namediethyl 2-amino-5-methylfuran-3,4-dicarboxylate
SMILESCCOC(=O)c1c(C)oc(N)c1C(=O)OCC
InChIInChI=1S/C11H15NO5/c1-4-15-10(13)7-6(3)17-9(12)8(7)11(14)16-5-2/h4-5,12H2,1-3H3
InChIKeyKJHBLQGLKJXASY-UHFFFAOYSA-N
XLogP1.52
TPSA91.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-methyl-4-oxo-1H,4H-furo[2,3-d]pyrimidine-5-carboxylate
CID 4962837
Ethyl 5-amino-4-carbamoyl-2-methylfuran-3-carboxylate
CID 4962479
3,4-Diethyl 2-(2-chloroacetamido)-5-methylfuran-3,4-dicarboxylate
CID 2463151
Ethyl 4-acetyl-2-amino-5-methyl-3-furoate
CID 1583324
Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate
CID 591699
2-Amino-4,5-dimethylfuran-3-carboxamide
CID 290213
Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate
CID 693184
Ethyl 5-amino-4-cyano-2-(trifluoromethyl)furan-3-carboxylate
CID 39870695
Ethyl 2-amino-5-(3-oxoprop-1-enyl)-3-furoate
CID 5708741
Dimethyl 2-methyl-5-pyrrolidin-1-ylfuran-3,4-dicarboxylate
CID 101569242
2-Amino-5-methyl-4-(2,2,2-trichloroethyl)furan-3-carboxylic acid
CID 129790525
2-Amino-3-ethoxycarbonyl-5-methyl-4-(2,2,2-trichloroethyl)furane
CID 129798301

Frequently Asked Questions

What is the IUPAC name of diethyl 2-amino-5-methylfuran-3,4-dicarboxylate?
The IUPAC name of diethyl 2-amino-5-methylfuran-3,4-dicarboxylate (CID 2463159) is diethyl 2-amino-5-methylfuran-3,4-dicarboxylate.
What is the SMILES notation for diethyl 2-amino-5-methylfuran-3,4-dicarboxylate?
The canonical SMILES for diethyl 2-amino-5-methylfuran-3,4-dicarboxylate is CCOC(=O)c1c(C)oc(N)c1C(=O)OCC.
What is the InChIKey of diethyl 2-amino-5-methylfuran-3,4-dicarboxylate?
The InChIKey is KJHBLQGLKJXASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-4-15-10(13)7-6(3)17-9(12)8(7)11(14)16-5-2/h4-5,12H2,1-3H3.
What are the key properties of diethyl 2-amino-5-methylfuran-3,4-dicarboxylate?
diethyl 2-amino-5-methylfuran-3,4-dicarboxylate has a molecular weight of 241.24 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-amino-5-methylfuran-3,4-dicarboxylate is sourced from PubChem (CID 2463159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).