ethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate

C10H13NO4 — CID 115141938

IUPACethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C)c1ccc(C)o1
InChIInChI=1S/C10H13NO4/c1-4-14-10(13)9(12)11(3)8-6-5-7(2)15-8/h5-6H,4H2,1-3H3
InChIKeyNCKCGEYTZXPLNX-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.11
Rot. Bonds2

About ethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate

ethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate (PubChem CID 115141938) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate
PubChem CID115141938
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Nameethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C)c1ccc(C)o1
InChIInChI=1S/C10H13NO4/c1-4-14-10(13)9(12)11(3)8-6-5-7(2)15-8/h5-6H,4H2,1-3H3
InChIKeyNCKCGEYTZXPLNX-UHFFFAOYSA-N
XLogP1.11
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze ethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide
CID 115175550
3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide
CID 115138943
N-methyl-N-(5-methylfuran-2-yl)carbamoyl chloride
CID 115194566
2-amino-3-[methyl-(5-methylfuran-2-yl)amino]-3-oxopropanoic acid
CID 115179254
2,5-dimethylfuran;ethyl acetate
CID 174830713
ethyl 2-oxo-2-(N,2,3,5,6-pentamethylanilino)acetate
CID 115141898
3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide
CID 115185619
ethyl 2-[(2-amino-1-benzothiophen-3-yl)-methylamino]-2-oxoacetate
CID 14868516
N-methyl-4-(methylamino)-N-(5-methylfuran-2-yl)benzamide
CID 115161099
ethyl 2-[hydroxy-(5-methylfuran-2-yl)methyl]prop-2-enoate
CID 43186479
4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide
CID 115151184
ethyl 2-[methyl-(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoacetate
CID 115141927

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate (CID 115141938) is ethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate is CCOC(=O)C(=O)N(C)c1ccc(C)o1.
What is the InChIKey of ethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate?
The InChIKey is NCKCGEYTZXPLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-4-14-10(13)9(12)11(3)8-6-5-7(2)15-8/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate?
ethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate has a molecular weight of 211.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate is sourced from PubChem (CID 115141938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).