[1-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2-amino-5-oxopentanoate

C11H15NO8 — CID 89267682

IUPAC[1-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2-amino-5-oxopentanoate
SMILESNC(CCC=O)C(=O)OC(CO)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C11H15NO8/c12-5(2-1-3-13)10(17)19-6(4-14)9-7(15)8(16)11(18)20-9/h3,5-6,9,14-16H,1-2,4,12H2/t5?,6?,9-/m1/s1
InChIKeyVLMTYVSUZSOMJA-GVNUUABZSA-N
MW289.24 g/mol
LogP-1.55
Rot. Bonds7

About [1-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2-amino-5-oxopentanoate

[1-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2-amino-5-oxopentanoate (PubChem CID 89267682) has the molecular formula C11H15NO8 and a molecular weight of 289.24 g/mol. Its IUPAC name is [1-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2-amino-5-oxopentanoate.

Molecular Properties

Compound Name[1-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2-amino-5-oxopentanoate
PubChem CID89267682
Molecular FormulaC11H15NO8
Molecular Weight289.24 g/mol
Exact Mass289.08
IUPAC Name[1-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2-amino-5-oxopentanoate
SMILESNC(CCC=O)C(=O)OC(CO)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C11H15NO8/c12-5(2-1-3-13)10(17)19-6(4-14)9-7(15)8(16)11(18)20-9/h3,5-6,9,14-16H,1-2,4,12H2/t5?,6?,9-/m1/s1
InChIKeyVLMTYVSUZSOMJA-GVNUUABZSA-N
XLogP-1.55
TPSA156.38 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [1-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2-amino-5-oxopentanoate with MolForge

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Related Compounds

[(1S)-1-[(2R)-3-carboxyoxy-4-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2S)-2,6-diaminohexanoate
CID 68586495
2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 176549717
sodium (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54719295
azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54713594
(2S)-2-[(1S)-1-fluoro-2-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 140532604
CID 175868978
CID 175868978
3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one
CID 54684743
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl] (2S)-2,6-diaminohexanoate
CID 20764173
trisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride
CID 173003936
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;molecular chlorine
CID 141150592
[(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 54744132
CID 68731933
CID 68731933

Frequently Asked Questions

What is the IUPAC name of [1-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2-amino-5-oxopentanoate?
The IUPAC name of [1-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2-amino-5-oxopentanoate (CID 89267682) is [1-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2-amino-5-oxopentanoate.
What is the SMILES notation for [1-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2-amino-5-oxopentanoate?
The canonical SMILES for [1-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2-amino-5-oxopentanoate is NC(CCC=O)C(=O)OC(CO)[C@H]1OC(=O)C(O)=C1O.
What is the InChIKey of [1-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2-amino-5-oxopentanoate?
The InChIKey is VLMTYVSUZSOMJA-GVNUUABZSA-N. The full InChI is InChI=1S/C11H15NO8/c12-5(2-1-3-13)10(17)19-6(4-14)9-7(15)8(16)11(18)20-9/h3,5-6,9,14-16H,1-2,4,12H2/t5?,6?,9-/m1/s1.
What are the key properties of [1-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2-amino-5-oxopentanoate?
[1-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2-amino-5-oxopentanoate has a molecular weight of 289.24 g/mol, XLogP of -1.55, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] 2-amino-5-oxopentanoate is sourced from PubChem (CID 89267682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).