(2,5-dioxopyrrolidin-1-yl) 2-[[(3R,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate

C19H21NO8 — CID 169281449

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[[(3R,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate
SMILESO=C(CO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OCc1ccccc1)ON1C(=O)CCC1=O
InChIInChI=1S/C19H21NO8/c21-15-6-7-16(22)20(15)28-17(23)11-25-14-10-27-18-13(9-26-19(14)18)24-8-12-4-2-1-3-5-12/h1-5,13-14,18-19H,6-11H2/t13-,14+,18-,19-/m1/s1
InChIKeyIIMIFTZWEBSIEX-GTYSZEQSSA-N
MW391.38 g/mol
LogP0.36
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 2-[[(3R,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[[(3R,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate (PubChem CID 169281449) has the molecular formula C19H21NO8 and a molecular weight of 391.38 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[[(3R,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[[(3R,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate
PubChem CID169281449
Molecular FormulaC19H21NO8
Molecular Weight391.38 g/mol
Exact Mass391.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[[(3R,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate
SMILESO=C(CO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OCc1ccccc1)ON1C(=O)CCC1=O
InChIInChI=1S/C19H21NO8/c21-15-6-7-16(22)20(15)28-17(23)11-25-14-10-27-18-13(9-26-19(14)18)24-8-12-4-2-1-3-5-12/h1-5,13-14,18-19H,6-11H2/t13-,14+,18-,19-/m1/s1
InChIKeyIIMIFTZWEBSIEX-GTYSZEQSSA-N
XLogP0.36
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 2-[[(3R,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate with MolForge

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Related Compounds

2-[[(3R,3aR,6S,6aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]ethanol
CID 146629320
[(3S,3aR,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] prop-2-enoate
CID 11077127
(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
CID 45361682
(2,5-dioxopyrrolidin-1-yl) 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)acetate;(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 145408322
N-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-methoxyacetamide
CID 11886490
2-methoxy-N-(6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)acetamide
CID 73134732
[(3R,3aR,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-(hydroxymethyl)benzoate
CID 58151002
(3R,3aR,6R,6aR)-3-phenylmethoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 11033116
[(3S,3aR,6S,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-dibenzyl-methylazanium
CID 102210903
2-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]carbamoyl]benzoic acid
CID 26763421
8,9-bis(phenylmethoxy)-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 162664103
1-O-benzyl 4-O-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl] butanedioate
CID 90379430

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[[(3R,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[[(3R,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate (CID 169281449) is (2,5-dioxopyrrolidin-1-yl) 2-[[(3R,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[[(3R,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[[(3R,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate is O=C(CO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OCc1ccccc1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[[(3R,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate?
The InChIKey is IIMIFTZWEBSIEX-GTYSZEQSSA-N. The full InChI is InChI=1S/C19H21NO8/c21-15-6-7-16(22)20(15)28-17(23)11-25-14-10-27-18-13(9-26-19(14)18)24-8-12-4-2-1-3-5-12/h1-5,13-14,18-19H,6-11H2/t13-,14+,18-,19-/m1/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[[(3R,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[[(3R,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate has a molecular weight of 391.38 g/mol, XLogP of 0.36, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[[(3R,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate is sourced from PubChem (CID 169281449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).