methyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate

C12H17NO4 — CID 114822109

IUPACmethyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1coc(C)c1
InChIInChI=1S/C12H17NO4/c1-8(12(15)16-4)6-13(3)11(14)10-5-9(2)17-7-10/h5,7-8H,6H2,1-4H3
InChIKeyYHHOCFXFHJJSMY-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.47
Rot. Bonds4

About methyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate

methyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate (PubChem CID 114822109) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate
PubChem CID114822109
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Namemethyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1coc(C)c1
InChIInChI=1S/C12H17NO4/c1-8(12(15)16-4)6-13(3)11(14)10-5-9(2)17-7-10/h5,7-8H,6H2,1-4H3
InChIKeyYHHOCFXFHJJSMY-UHFFFAOYSA-N
XLogP1.47
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate
CID 55007974
methyl 2-methyl-3-[methyl-(3-methylfuran-2-carbonyl)amino]propanoate
CID 55008207
methyl 3-[(3-chlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008439
methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate
CID 78950585
methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate
CID 104782621
methyl 3-[(3-bromo-5-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008265
methyl 3-[(3-bromo-4-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 103707468
N,N,5-trimethylfuran-3-carboxamide
CID 45123510
methyl 3-[(6-bromopyridine-3-carbonyl)-methylamino]-2-methylpropanoate
CID 66463709
methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate
CID 55008401
methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008393
methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate
CID 55008203

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate (CID 114822109) is methyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate is COC(=O)C(C)CN(C)C(=O)c1coc(C)c1.
What is the InChIKey of methyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate?
The InChIKey is YHHOCFXFHJJSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8(12(15)16-4)6-13(3)11(14)10-5-9(2)17-7-10/h5,7-8H,6H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate?
methyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate has a molecular weight of 239.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate is sourced from PubChem (CID 114822109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).