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

C10H13NO4 — CID 43407543

IUPACmethyl 2-[methyl-(5-methylfuran-2-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(C)o1
InChIInChI=1S/C10H13NO4/c1-7-4-5-8(15-7)10(13)11(2)6-9(12)14-3/h4-5H,6H2,1-3H3
InChIKeyIDRAGMYOPKNBRJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.83
Rot. Bonds3

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

methyl 2-[methyl-(5-methylfuran-2-carbonyl)amino]acetate (PubChem CID 43407543) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 2-[methyl-(5-methylfuran-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(5-methylfuran-2-carbonyl)amino]acetate
PubChem CID43407543
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Namemethyl 2-[methyl-(5-methylfuran-2-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(C)o1
InChIInChI=1S/C10H13NO4/c1-7-4-5-8(15-7)10(13)11(2)6-9(12)14-3/h4-5H,6H2,1-3H3
InChIKeyIDRAGMYOPKNBRJ-UHFFFAOYSA-N
XLogP0.83
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[methyl-(5-methylfuran-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

Related Compounds

methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
methyl 2-[[4-[(dimethylamino)methyl]benzoyl]-methylamino]acetate
CID 43409765
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide
CID 115272187
N-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide
CID 28780453
methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate
CID 43404643
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethylfuran-2-carboxamide
CID 2650227
N-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide
CID 107206681
methyl 2-[(4-iodobenzoyl)-methylamino]acetate
CID 43407349
methyl 2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylamino]acetate
CID 62011760
methyl 2-[(2,6-dichlorobenzoyl)-methylamino]acetate
CID 43422763
methyl 2-[methyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 43409840
methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate
CID 43407552

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(5-methylfuran-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(5-methylfuran-2-carbonyl)amino]acetate (CID 43407543) is methyl 2-[methyl-(5-methylfuran-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(5-methylfuran-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(5-methylfuran-2-carbonyl)amino]acetate is COC(=O)CN(C)C(=O)c1ccc(C)o1.
What is the InChIKey of methyl 2-[methyl-(5-methylfuran-2-carbonyl)amino]acetate?
The InChIKey is IDRAGMYOPKNBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7-4-5-8(15-7)10(13)11(2)6-9(12)14-3/h4-5H,6H2,1-3H3.
What are the key properties of methyl 2-[methyl-(5-methylfuran-2-carbonyl)amino]acetate?
methyl 2-[methyl-(5-methylfuran-2-carbonyl)amino]acetate has a molecular weight of 211.22 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(5-methylfuran-2-carbonyl)amino]acetate is sourced from PubChem (CID 43407543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).