ethyl 5-amino-4-carbamoyl-2-methylfuran-3-carboxylate

C9H12N2O4 — CID 4962479

IUPACethyl 5-amino-4-carbamoyl-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(N)c1C(N)=O
InChIInChI=1S/C9H12N2O4/c1-3-14-9(13)5-4(2)15-8(11)6(5)7(10)12/h3,11H2,1-2H3,(H2,10,12)
InChIKeyWKOFKXOOGACFCT-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.45
Rot. Bonds3

About ethyl 5-amino-4-carbamoyl-2-methylfuran-3-carboxylate

ethyl 5-amino-4-carbamoyl-2-methylfuran-3-carboxylate (PubChem CID 4962479) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is ethyl 5-amino-4-carbamoyl-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-4-carbamoyl-2-methylfuran-3-carboxylate
PubChem CID4962479
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Nameethyl 5-amino-4-carbamoyl-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(N)c1C(N)=O
InChIInChI=1S/C9H12N2O4/c1-3-14-9(13)5-4(2)15-8(11)6(5)7(10)12/h3,11H2,1-2H3,(H2,10,12)
InChIKeyWKOFKXOOGACFCT-UHFFFAOYSA-N
XLogP0.45
TPSA108.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 5-amino-4-carbamoyl-2-methylfuran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-carbamoyl-2-methylfuran-3-carboxylate?
The IUPAC name of ethyl 5-amino-4-carbamoyl-2-methylfuran-3-carboxylate (CID 4962479) is ethyl 5-amino-4-carbamoyl-2-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-4-carbamoyl-2-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 5-amino-4-carbamoyl-2-methylfuran-3-carboxylate is CCOC(=O)c1c(C)oc(N)c1C(N)=O.
What is the InChIKey of ethyl 5-amino-4-carbamoyl-2-methylfuran-3-carboxylate?
The InChIKey is WKOFKXOOGACFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-3-14-9(13)5-4(2)15-8(11)6(5)7(10)12/h3,11H2,1-2H3,(H2,10,12).
What are the key properties of ethyl 5-amino-4-carbamoyl-2-methylfuran-3-carboxylate?
ethyl 5-amino-4-carbamoyl-2-methylfuran-3-carboxylate has a molecular weight of 212.20 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-carbamoyl-2-methylfuran-3-carboxylate is sourced from PubChem (CID 4962479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).