(3R,3aS,4R,6aS)-3a-hydroxy-6a-(hydroxymethyl)-1,3,4-trimethyl-3,4-dihydrofuro[3,4-b]pyrrole-2,6-dione

C10H15NO5 — CID 90662143

IUPAC(3R,3aS,4R,6aS)-3a-hydroxy-6a-(hydroxymethyl)-1,3,4-trimethyl-3,4-dihydrofuro[3,4-b]pyrrole-2,6-dione
SMILESC[C@H]1OC(=O)[C@@]2(CO)N(C)C(=O)[C@H](C)[C@@]12O
InChIInChI=1S/C10H15NO5/c1-5-7(13)11(3)9(4-12)8(14)16-6(2)10(5,9)15/h5-6,12,15H,4H2,1-3H3/t5-,6+,9+,10+/m0/s1
InChIKeyTXSDNAKHRKBAPX-NAXOPYRSSA-N
MW229.23 g/mol
LogP-1.50
Rot. Bonds1

About (3R,3aS,4R,6aS)-3a-hydroxy-6a-(hydroxymethyl)-1,3,4-trimethyl-3,4-dihydrofuro[3,4-b]pyrrole-2,6-dione

(3R,3aS,4R,6aS)-3a-hydroxy-6a-(hydroxymethyl)-1,3,4-trimethyl-3,4-dihydrofuro[3,4-b]pyrrole-2,6-dione (PubChem CID 90662143) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is (3R,3aS,4R,6aS)-3a-hydroxy-6a-(hydroxymethyl)-1,3,4-trimethyl-3,4-dihydrofuro[3,4-b]pyrrole-2,6-dione.

Molecular Properties

Compound Name(3R,3aS,4R,6aS)-3a-hydroxy-6a-(hydroxymethyl)-1,3,4-trimethyl-3,4-dihydrofuro[3,4-b]pyrrole-2,6-dione
PubChem CID90662143
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name(3R,3aS,4R,6aS)-3a-hydroxy-6a-(hydroxymethyl)-1,3,4-trimethyl-3,4-dihydrofuro[3,4-b]pyrrole-2,6-dione
SMILESC[C@H]1OC(=O)[C@@]2(CO)N(C)C(=O)[C@H](C)[C@@]12O
InChIInChI=1S/C10H15NO5/c1-5-7(13)11(3)9(4-12)8(14)16-6(2)10(5,9)15/h5-6,12,15H,4H2,1-3H3/t5-,6+,9+,10+/m0/s1
InChIKeyTXSDNAKHRKBAPX-NAXOPYRSSA-N
XLogP-1.50
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,3aS,4R,6aS)-3a-hydroxy-6a-(hydroxymethyl)-1,3,4-trimethyl-3,4-dihydrofuro[3,4-b]pyrrole-2,6-dione?
The IUPAC name of (3R,3aS,4R,6aS)-3a-hydroxy-6a-(hydroxymethyl)-1,3,4-trimethyl-3,4-dihydrofuro[3,4-b]pyrrole-2,6-dione (CID 90662143) is (3R,3aS,4R,6aS)-3a-hydroxy-6a-(hydroxymethyl)-1,3,4-trimethyl-3,4-dihydrofuro[3,4-b]pyrrole-2,6-dione.
What is the SMILES notation for (3R,3aS,4R,6aS)-3a-hydroxy-6a-(hydroxymethyl)-1,3,4-trimethyl-3,4-dihydrofuro[3,4-b]pyrrole-2,6-dione?
The canonical SMILES for (3R,3aS,4R,6aS)-3a-hydroxy-6a-(hydroxymethyl)-1,3,4-trimethyl-3,4-dihydrofuro[3,4-b]pyrrole-2,6-dione is C[C@H]1OC(=O)[C@@]2(CO)N(C)C(=O)[C@H](C)[C@@]12O.
What is the InChIKey of (3R,3aS,4R,6aS)-3a-hydroxy-6a-(hydroxymethyl)-1,3,4-trimethyl-3,4-dihydrofuro[3,4-b]pyrrole-2,6-dione?
The InChIKey is TXSDNAKHRKBAPX-NAXOPYRSSA-N. The full InChI is InChI=1S/C10H15NO5/c1-5-7(13)11(3)9(4-12)8(14)16-6(2)10(5,9)15/h5-6,12,15H,4H2,1-3H3/t5-,6+,9+,10+/m0/s1.
What are the key properties of (3R,3aS,4R,6aS)-3a-hydroxy-6a-(hydroxymethyl)-1,3,4-trimethyl-3,4-dihydrofuro[3,4-b]pyrrole-2,6-dione?
(3R,3aS,4R,6aS)-3a-hydroxy-6a-(hydroxymethyl)-1,3,4-trimethyl-3,4-dihydrofuro[3,4-b]pyrrole-2,6-dione has a molecular weight of 229.23 g/mol, XLogP of -1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,4R,6aS)-3a-hydroxy-6a-(hydroxymethyl)-1,3,4-trimethyl-3,4-dihydrofuro[3,4-b]pyrrole-2,6-dione is sourced from PubChem (CID 90662143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).