methyl 4-(benzylamino)-2-methyl-5-oxo-2H-furan-3-carboxylate

C14H15NO4 — CID 19957796

IUPACmethyl 4-(benzylamino)-2-methyl-5-oxo-2H-furan-3-carboxylate
SMILESCOC(=O)C1=C(NCc2ccccc2)C(=O)OC1C
InChIInChI=1S/C14H15NO4/c1-9-11(13(16)18-2)12(14(17)19-9)15-8-10-6-4-3-5-7-10/h3-7,9,15H,8H2,1-2H3
InChIKeyBZALZUSNYLBWPA-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.15
Rot. Bonds4

About methyl 4-(benzylamino)-2-methyl-5-oxo-2H-furan-3-carboxylate

methyl 4-(benzylamino)-2-methyl-5-oxo-2H-furan-3-carboxylate (PubChem CID 19957796) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 4-(benzylamino)-2-methyl-5-oxo-2H-furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(benzylamino)-2-methyl-5-oxo-2H-furan-3-carboxylate
PubChem CID19957796
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl 4-(benzylamino)-2-methyl-5-oxo-2H-furan-3-carboxylate
SMILESCOC(=O)C1=C(NCc2ccccc2)C(=O)OC1C
InChIInChI=1S/C14H15NO4/c1-9-11(13(16)18-2)12(14(17)19-9)15-8-10-6-4-3-5-7-10/h3-7,9,15H,8H2,1-2H3
InChIKeyBZALZUSNYLBWPA-UHFFFAOYSA-N
XLogP1.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(benzylamino)-2-methyl-5-oxo-2H-furan-3-carboxylate?
The IUPAC name of methyl 4-(benzylamino)-2-methyl-5-oxo-2H-furan-3-carboxylate (CID 19957796) is methyl 4-(benzylamino)-2-methyl-5-oxo-2H-furan-3-carboxylate.
What is the SMILES notation for methyl 4-(benzylamino)-2-methyl-5-oxo-2H-furan-3-carboxylate?
The canonical SMILES for methyl 4-(benzylamino)-2-methyl-5-oxo-2H-furan-3-carboxylate is COC(=O)C1=C(NCc2ccccc2)C(=O)OC1C.
What is the InChIKey of methyl 4-(benzylamino)-2-methyl-5-oxo-2H-furan-3-carboxylate?
The InChIKey is BZALZUSNYLBWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9-11(13(16)18-2)12(14(17)19-9)15-8-10-6-4-3-5-7-10/h3-7,9,15H,8H2,1-2H3.
What are the key properties of methyl 4-(benzylamino)-2-methyl-5-oxo-2H-furan-3-carboxylate?
methyl 4-(benzylamino)-2-methyl-5-oxo-2H-furan-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(benzylamino)-2-methyl-5-oxo-2H-furan-3-carboxylate is sourced from PubChem (CID 19957796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).