[(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium

C14H18N3O4+ — CID 8919816

IUPAC[(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1ccco1
InChIInChI=1S/C14H17N3O4/c1-10(12-5-3-7-21-12)15-9-13(18)17-14(19)16-8-11-4-2-6-20-11/h2-7,10,15H,8-9H2,1H3,(H2,16,17,18,19)/p+1/t10-/m0/s1
InChIKeyYWGQIKSYKOKYLA-JTQLQIEISA-O
MW292.31 g/mol
LogP0.52
Rot. Bonds6

About [(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium

[(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium (PubChem CID 8919816) has the molecular formula C14H18N3O4+ and a molecular weight of 292.31 g/mol. Its IUPAC name is [(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium
PubChem CID8919816
Molecular FormulaC14H18N3O4+
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name[(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1ccco1
InChIInChI=1S/C14H17N3O4/c1-10(12-5-3-7-21-12)15-9-13(18)17-14(19)16-8-11-4-2-6-20-11/h2-7,10,15H,8-9H2,1H3,(H2,16,17,18,19)/p+1/t10-/m0/s1
InChIKeyYWGQIKSYKOKYLA-JTQLQIEISA-O
XLogP0.52
TPSA101.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8920889
(2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83195218
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8918803
2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 66229322
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 62637062
2-(dipropylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 43061736
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918463
[(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 8918132
[2-(4-fluoroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917793
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919663
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 9306254

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium (CID 8919816) is [(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium is C[C@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1ccco1.
What is the InChIKey of [(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium?
The InChIKey is YWGQIKSYKOKYLA-JTQLQIEISA-O. The full InChI is InChI=1S/C14H17N3O4/c1-10(12-5-3-7-21-12)15-9-13(18)17-14(19)16-8-11-4-2-6-20-11/h2-7,10,15H,8-9H2,1H3,(H2,16,17,18,19)/p+1/t10-/m0/s1.
What are the key properties of [(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium?
[(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium has a molecular weight of 292.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8919816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).