[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] furan-2-carboxylate

C14H15NO5 — CID 656068

IUPAC[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] furan-2-carboxylate
SMILESCCC(OC(=O)c1ccco1)C(=O)NCc1ccco1
InChIInChI=1S/C14H15NO5/c1-2-11(20-14(17)12-6-4-8-19-12)13(16)15-9-10-5-3-7-18-10/h3-8,11H,2,9H2,1H3,(H,15,16)
InChIKeyCNNGCLYTWVVCNI-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.12
Rot. Bonds6

About [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] furan-2-carboxylate

[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] furan-2-carboxylate (PubChem CID 656068) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] furan-2-carboxylate
PubChem CID656068
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] furan-2-carboxylate
SMILESCCC(OC(=O)c1ccco1)C(=O)NCc1ccco1
InChIInChI=1S/C14H15NO5/c1-2-11(20-14(17)12-6-4-8-19-12)13(16)15-9-10-5-3-7-18-10/h3-8,11H,2,9H2,1H3,(H,15,16)
InChIKeyCNNGCLYTWVVCNI-UHFFFAOYSA-N
XLogP2.12
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(Furan-2-carbonyl)imidazolidin-2-one
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2-[(Furan-2-carbonyl)-amino]-propionic acid
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N,N'-Difurfuryloxamide
CID 330826
1,4-Bis(furan-2-ylcarbonyl)piperazine
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Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] furan-2-carboxylate?
The IUPAC name of [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] furan-2-carboxylate (CID 656068) is [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] furan-2-carboxylate.
What is the SMILES notation for [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] furan-2-carboxylate?
The canonical SMILES for [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] furan-2-carboxylate is CCC(OC(=O)c1ccco1)C(=O)NCc1ccco1.
What is the InChIKey of [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] furan-2-carboxylate?
The InChIKey is CNNGCLYTWVVCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-2-11(20-14(17)12-6-4-8-19-12)13(16)15-9-10-5-3-7-18-10/h3-8,11H,2,9H2,1H3,(H,15,16).
What are the key properties of [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] furan-2-carboxylate?
[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] furan-2-carboxylate has a molecular weight of 277.28 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] furan-2-carboxylate is sourced from PubChem (CID 656068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).