methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate

C15H15NO7 — CID 42936087

IUPACmethyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)C(C)NC(=O)c1ccco1
InChIInChI=1S/C15H15NO7/c1-9(16-13(17)11-4-3-6-21-11)14(18)23-8-12-10(5-7-22-12)15(19)20-2/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyKBNCKMWWYRDFFD-UHFFFAOYSA-N
MW321.29 g/mol
LogP1.52
Rot. Bonds6

About methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate

methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate (PubChem CID 42936087) has the molecular formula C15H15NO7 and a molecular weight of 321.29 g/mol. Its IUPAC name is methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate
PubChem CID42936087
Molecular FormulaC15H15NO7
Molecular Weight321.29 g/mol
Exact Mass321.08
IUPAC Namemethyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)C(C)NC(=O)c1ccco1
InChIInChI=1S/C15H15NO7/c1-9(16-13(17)11-4-3-6-21-11)14(18)23-8-12-10(5-7-22-12)15(19)20-2/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyKBNCKMWWYRDFFD-UHFFFAOYSA-N
XLogP1.52
TPSA107.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[[2-(furan-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]oxymethyl]furan-3-carboxylate
CID 24622343
[3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate
CID 2427745
methyl 2-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]oxymethyl]furan-3-carboxylate
CID 55928864
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate
CID 51485714
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate
CID 55935790
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 113218177
[1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate
CID 32739273
undec-10-enyl 2-(furan-2-carbonylamino)propanoate
CID 6423003
methyl 2-[2-(4-bromophenoxy)propanoyloxymethyl]furan-3-carboxylate
CID 55516580
(5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate
CID 51900243
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 18285342

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate (CID 42936087) is methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate is COC(=O)c1ccoc1COC(=O)C(C)NC(=O)c1ccco1.
What is the InChIKey of methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate?
The InChIKey is KBNCKMWWYRDFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO7/c1-9(16-13(17)11-4-3-6-21-11)14(18)23-8-12-10(5-7-22-12)15(19)20-2/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate?
methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate has a molecular weight of 321.29 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate is sourced from PubChem (CID 42936087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).