bis(furan-2-yl) (2S)-2-aminobutanedioate

C12H11NO6 — CID 90119465

IUPACbis(furan-2-yl) (2S)-2-aminobutanedioate
SMILESN[C@@H](CC(=O)Oc1ccco1)C(=O)Oc1ccco1
InChIInChI=1S/C12H11NO6/c13-8(12(15)19-11-4-2-6-17-11)7-9(14)18-10-3-1-5-16-10/h1-6,8H,7,13H2/t8-/m0/s1
InChIKeyWKSDRMLKIPXMNQ-QMMMGPOBSA-N
MW265.22 g/mol
LogP1.10
Rot. Bonds5

About bis(furan-2-yl) (2S)-2-aminobutanedioate

bis(furan-2-yl) (2S)-2-aminobutanedioate (PubChem CID 90119465) has the molecular formula C12H11NO6 and a molecular weight of 265.22 g/mol. Its IUPAC name is bis(furan-2-yl) (2S)-2-aminobutanedioate.

Molecular Properties

Compound Namebis(furan-2-yl) (2S)-2-aminobutanedioate
PubChem CID90119465
Molecular FormulaC12H11NO6
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Namebis(furan-2-yl) (2S)-2-aminobutanedioate
SMILESN[C@@H](CC(=O)Oc1ccco1)C(=O)Oc1ccco1
InChIInChI=1S/C12H11NO6/c13-8(12(15)19-11-4-2-6-17-11)7-9(14)18-10-3-1-5-16-10/h1-6,8H,7,13H2/t8-/m0/s1
InChIKeyWKSDRMLKIPXMNQ-QMMMGPOBSA-N
XLogP1.10
TPSA104.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis(furan-2-yl) (2S)-2-aminobutanedioate?
The IUPAC name of bis(furan-2-yl) (2S)-2-aminobutanedioate (CID 90119465) is bis(furan-2-yl) (2S)-2-aminobutanedioate.
What is the SMILES notation for bis(furan-2-yl) (2S)-2-aminobutanedioate?
The canonical SMILES for bis(furan-2-yl) (2S)-2-aminobutanedioate is N[C@@H](CC(=O)Oc1ccco1)C(=O)Oc1ccco1.
What is the InChIKey of bis(furan-2-yl) (2S)-2-aminobutanedioate?
The InChIKey is WKSDRMLKIPXMNQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H11NO6/c13-8(12(15)19-11-4-2-6-17-11)7-9(14)18-10-3-1-5-16-10/h1-6,8H,7,13H2/t8-/m0/s1.
What are the key properties of bis(furan-2-yl) (2S)-2-aminobutanedioate?
bis(furan-2-yl) (2S)-2-aminobutanedioate has a molecular weight of 265.22 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(furan-2-yl) (2S)-2-aminobutanedioate is sourced from PubChem (CID 90119465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).