(2,5-dioxopyrrolidin-1-yl) 4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate

C14H21NO10 — CID 102588416

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate
SMILESO=C(CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H21NO10/c16-6-7-11(20)12(21)13(22)14(24-7)23-5-1-2-10(19)25-15-8(17)3-4-9(15)18/h7,11-14,16,20-22H,1-6H2/t7-,11-,12+,13+,14+/m1/s1
InChIKeyIOGLKTWGDFFTAD-NJHYNOGISA-N
MW363.32 g/mol
LogP-2.81
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate

(2,5-dioxopyrrolidin-1-yl) 4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate (PubChem CID 102588416) has the molecular formula C14H21NO10 and a molecular weight of 363.32 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate
PubChem CID102588416
Molecular FormulaC14H21NO10
Molecular Weight363.32 g/mol
Exact Mass363.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate
SMILESO=C(CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H21NO10/c16-6-7-11(20)12(21)13(22)14(24-7)23-5-1-2-10(19)25-15-8(17)3-4-9(15)18/h7,11-14,16,20-22H,1-6H2/t7-,11-,12+,13+,14+/m1/s1
InChIKeyIOGLKTWGDFFTAD-NJHYNOGISA-N
XLogP-2.81
TPSA163.06 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 5-2.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) 9-oxo-9-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]amino]nonanoate
CID 118013660
(2,5-dioxopyrrolidin-1-yl) 6-oxo-9-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoate
CID 149182325
(2,5-dioxopyrrolidin-1-yl) 6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]propyl]amino]hexanoate
CID 118002179
(2,5-dioxopyrrolidin-1-yl) 10-[2-(3-hydroxyoxan-2-yl)oxyethyl-[3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]amino]-10-oxodecanoate
CID 144823214
(2,5-dioxopyrrolidin-1-yl) 6-[4-[(2S,3S,6S)-3-hydroxy-6-methyloxan-2-yl]butyl-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]amino]hexanoate
CID 134233132
(2,5-dioxopyrrolidin-1-yl) 6-[2-[(2R,3R,4S,5R,6R)-3-fluoro-5-hydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-6-oxohexanoate
CID 164936255
(2,5-dioxopyrrolidin-1-yl) 6-[[2-[[2-[5-[[2-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]acetyl]amino]pentylamino]-2-oxoethyl]-[2-oxo-2-[[6-oxo-6-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]hexyl]amino]ethyl]amino]acetyl]amino]hexanoate
CID 135338028
(2,5-dioxopyrrolidin-1-yl) 6-oxo-6-[3-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]propyl-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]amino]hexanoate
CID 152798495
4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
CID 118348546
4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
CID 54212773
(2,5-dioxopyrrolidin-1-yl) 6-[[1,3-bis[13-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3,9-dioxotridecoxy]-2-[[13-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3,9-dioxotridecoxy]methyl]propan-2-yl]amino]-6-oxohexanoate
CID 161213793
(2,5-dioxopyrrolidin-1-yl) 6-[[2-[bis[2-[[(2S)-1,5-dioxo-1,5-bis[[6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]amino]pentan-2-yl]amino]-2-oxoethyl]amino]acetyl]amino]hexanoate
CID 176727055

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate (CID 102588416) is (2,5-dioxopyrrolidin-1-yl) 4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate is O=C(CCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate?
The InChIKey is IOGLKTWGDFFTAD-NJHYNOGISA-N. The full InChI is InChI=1S/C14H21NO10/c16-6-7-11(20)12(21)13(22)14(24-7)23-5-1-2-10(19)25-15-8(17)3-4-9(15)18/h7,11-14,16,20-22H,1-6H2/t7-,11-,12+,13+,14+/m1/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate?
(2,5-dioxopyrrolidin-1-yl) 4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate has a molecular weight of 363.32 g/mol, XLogP of -2.81, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate is sourced from PubChem (CID 102588416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).