methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpropanoate

C12H17NO4 — CID 3858480

IUPACmethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cc(C)oc1C
InChIInChI=1S/C12H17NO4/c1-7-6-9(8(2)17-7)10(14)13-12(3,4)11(15)16-5/h6H,1-5H3,(H,13,14)
InChIKeyXIVDLIUKRGATJO-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.58
Rot. Bonds3

About methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpropanoate

methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpropanoate (PubChem CID 3858480) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpropanoate
PubChem CID3858480
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Namemethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cc(C)oc1C
InChIInChI=1S/C12H17NO4/c1-7-6-9(8(2)17-7)10(14)13-12(3,4)11(15)16-5/h6H,1-5H3,(H,13,14)
InChIKeyXIVDLIUKRGATJO-UHFFFAOYSA-N
XLogP1.58
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylfuran-3-carboxamide
CID 43390484
N-methoxy-2,5-dimethylfuran-3-carboxamide
CID 60716938
methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate
CID 43726174
2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide
CID 18712127
methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate
CID 43074427
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
CID 47102396
N-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119570912
methyl (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)propanoate
CID 131172107
ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
CID 61343316
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353004
methyl 3-(2,5-dimethylfuran-3-yl)-3-oxopropanoate
CID 79679462
N-[2-[methoxy(methyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 47301051

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpropanoate (CID 3858480) is methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1cc(C)oc1C.
What is the InChIKey of methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpropanoate?
The InChIKey is XIVDLIUKRGATJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-7-6-9(8(2)17-7)10(14)13-12(3,4)11(15)16-5/h6H,1-5H3,(H,13,14).
What are the key properties of methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpropanoate?
methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpropanoate has a molecular weight of 239.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpropanoate is sourced from PubChem (CID 3858480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).