dimethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]pentanedioate

C14H19NO6 — CID 2955618

IUPACdimethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]pentanedioate
SMILESCOC(=O)CCC(NC(=O)c1cc(C)oc1C)C(=O)OC
InChIInChI=1S/C14H19NO6/c1-8-7-10(9(2)21-8)13(17)15-11(14(18)20-4)5-6-12(16)19-3/h7,11H,5-6H2,1-4H3,(H,15,17)
InChIKeyNWQPQCKQZNHUKH-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.12
Rot. Bonds6

About dimethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]pentanedioate

dimethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]pentanedioate (PubChem CID 2955618) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is dimethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]pentanedioate.

Molecular Properties

Compound Namedimethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]pentanedioate
PubChem CID2955618
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Namedimethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]pentanedioate
SMILESCOC(=O)CCC(NC(=O)c1cc(C)oc1C)C(=O)OC
InChIInChI=1S/C14H19NO6/c1-8-7-10(9(2)21-8)13(17)15-11(14(18)20-4)5-6-12(16)19-3/h7,11H,5-6H2,1-4H3,(H,15,17)
InChIKeyNWQPQCKQZNHUKH-UHFFFAOYSA-N
XLogP1.12
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]pentanedioate?
The IUPAC name of dimethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]pentanedioate (CID 2955618) is dimethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]pentanedioate.
What is the SMILES notation for dimethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]pentanedioate?
The canonical SMILES for dimethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]pentanedioate is COC(=O)CCC(NC(=O)c1cc(C)oc1C)C(=O)OC.
What is the InChIKey of dimethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]pentanedioate?
The InChIKey is NWQPQCKQZNHUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-8-7-10(9(2)21-8)13(17)15-11(14(18)20-4)5-6-12(16)19-3/h7,11H,5-6H2,1-4H3,(H,15,17).
What are the key properties of dimethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]pentanedioate?
dimethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]pentanedioate has a molecular weight of 297.31 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]pentanedioate is sourced from PubChem (CID 2955618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).