methyl 2-[(5-nitrofuran-2-carbonyl)amino]acetate

C8H8N2O6 — CID 2247496

IUPACmethyl 2-[(5-nitrofuran-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H8N2O6/c1-15-7(11)4-9-8(12)5-2-3-6(16-5)10(13)14/h2-3H,4H2,1H3,(H,9,12)
InChIKeyBNYRTULASCLFCL-UHFFFAOYSA-N
MW228.16 g/mol
LogP0.09
Rot. Bonds4

About methyl 2-[(5-nitrofuran-2-carbonyl)amino]acetate

methyl 2-[(5-nitrofuran-2-carbonyl)amino]acetate (PubChem CID 2247496) has the molecular formula C8H8N2O6 and a molecular weight of 228.16 g/mol. Its IUPAC name is methyl 2-[(5-nitrofuran-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-nitrofuran-2-carbonyl)amino]acetate
PubChem CID2247496
Molecular FormulaC8H8N2O6
Molecular Weight228.16 g/mol
Exact Mass228.04
IUPAC Namemethyl 2-[(5-nitrofuran-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H8N2O6/c1-15-7(11)4-9-8(12)5-2-3-6(16-5)10(13)14/h2-3H,4H2,1H3,(H,9,12)
InChIKeyBNYRTULASCLFCL-UHFFFAOYSA-N
XLogP0.09
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.16
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 2-[(5-nitrofuran-2-carbonyl)amino]acetate 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 methyl 2-[(5-nitrofuran-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(5-nitrofuran-2-carbonyl)amino]acetate (CID 2247496) is methyl 2-[(5-nitrofuran-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-nitrofuran-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(5-nitrofuran-2-carbonyl)amino]acetate is COC(=O)CNC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of methyl 2-[(5-nitrofuran-2-carbonyl)amino]acetate?
The InChIKey is BNYRTULASCLFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O6/c1-15-7(11)4-9-8(12)5-2-3-6(16-5)10(13)14/h2-3H,4H2,1H3,(H,9,12).
What are the key properties of methyl 2-[(5-nitrofuran-2-carbonyl)amino]acetate?
methyl 2-[(5-nitrofuran-2-carbonyl)amino]acetate has a molecular weight of 228.16 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-nitrofuran-2-carbonyl)amino]acetate is sourced from PubChem (CID 2247496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).