methyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate

C15H15NO7 — CID 7909054

IUPACmethyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)CCNC(=O)c2ccco2)o1
InChIInChI=1S/C15H15NO7/c1-20-15(19)12-5-4-10(23-12)9-22-13(17)6-7-16-14(18)11-3-2-8-21-11/h2-5,8H,6-7,9H2,1H3,(H,16,18)
InChIKeyBLFQTBWHZJCGGU-UHFFFAOYSA-N
MW321.29 g/mol
LogP1.52
Rot. Bonds7

About methyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate

methyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate (PubChem CID 7909054) has the molecular formula C15H15NO7 and a molecular weight of 321.29 g/mol. Its IUPAC name is methyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate
PubChem CID7909054
Molecular FormulaC15H15NO7
Molecular Weight321.29 g/mol
Exact Mass321.08
IUPAC Namemethyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)CCNC(=O)c2ccco2)o1
InChIInChI=1S/C15H15NO7/c1-20-15(19)12-5-4-10(23-12)9-22-13(17)6-7-16-14(18)11-3-2-8-21-11/h2-5,8H,6-7,9H2,1H3,(H,16,18)
InChIKeyBLFQTBWHZJCGGU-UHFFFAOYSA-N
XLogP1.52
TPSA107.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
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 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate
CID 7734308
methyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate
CID 7909212
(2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate
CID 46796022
(2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate
CID 7629639
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(furan-2-carbonylamino)propanoate
CID 7909265
methyl 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate
CID 2506390
N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
CID 62665546
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
methyl (2R)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate
CID 9404731
methyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate
CID 4788337
methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 24714243

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate (CID 7909054) is methyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)CCNC(=O)c2ccco2)o1.
What is the InChIKey of methyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate?
The InChIKey is BLFQTBWHZJCGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO7/c1-20-15(19)12-5-4-10(23-12)9-22-13(17)6-7-16-14(18)11-3-2-8-21-11/h2-5,8H,6-7,9H2,1H3,(H,16,18).
What are the key properties of methyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate?
methyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate has a molecular weight of 321.29 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate is sourced from PubChem (CID 7909054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).