(3aR,6S,6aR)-N-methyl-4-[(3R)-oxolane-3-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

C13H20N2O4 — CID 98894479

IUPAC(3aR,6S,6aR)-N-methyl-4-[(3R)-oxolane-3-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)[C@@H]2CCOC2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C13H20N2O4/c1-14-12(16)9-6-15(10-3-5-19-11(9)10)13(17)8-2-4-18-7-8/h8-11H,2-7H2,1H3,(H,14,16)/t8-,9+,10-,11-/m1/s1
InChIKeyRADFQZOPTNJRJO-LMLFDSFASA-N
MW268.31 g/mol
LogP-0.62
Rot. Bonds2

About (3aR,6S,6aR)-N-methyl-4-[(3R)-oxolane-3-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

(3aR,6S,6aR)-N-methyl-4-[(3R)-oxolane-3-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (PubChem CID 98894479) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is (3aR,6S,6aR)-N-methyl-4-[(3R)-oxolane-3-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.

Molecular Properties

Compound Name(3aR,6S,6aR)-N-methyl-4-[(3R)-oxolane-3-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
PubChem CID98894479
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(3aR,6S,6aR)-N-methyl-4-[(3R)-oxolane-3-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)[C@@H]2CCOC2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C13H20N2O4/c1-14-12(16)9-6-15(10-3-5-19-11(9)10)13(17)8-2-4-18-7-8/h8-11H,2-7H2,1H3,(H,14,16)/t8-,9+,10-,11-/m1/s1
InChIKeyRADFQZOPTNJRJO-LMLFDSFASA-N
XLogP-0.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,6S,6aR)-N-methyl-4-[(3R)-oxolane-3-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aR)-N-methyl-4-[(3R)-oxolane-3-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The IUPAC name of (3aR,6S,6aR)-N-methyl-4-[(3R)-oxolane-3-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (CID 98894479) is (3aR,6S,6aR)-N-methyl-4-[(3R)-oxolane-3-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.
What is the SMILES notation for (3aR,6S,6aR)-N-methyl-4-[(3R)-oxolane-3-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The canonical SMILES for (3aR,6S,6aR)-N-methyl-4-[(3R)-oxolane-3-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is CNC(=O)[C@H]1CN(C(=O)[C@@H]2CCOC2)[C@@H]2CCO[C@H]12.
What is the InChIKey of (3aR,6S,6aR)-N-methyl-4-[(3R)-oxolane-3-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The InChIKey is RADFQZOPTNJRJO-LMLFDSFASA-N. The full InChI is InChI=1S/C13H20N2O4/c1-14-12(16)9-6-15(10-3-5-19-11(9)10)13(17)8-2-4-18-7-8/h8-11H,2-7H2,1H3,(H,14,16)/t8-,9+,10-,11-/m1/s1.
What are the key properties of (3aR,6S,6aR)-N-methyl-4-[(3R)-oxolane-3-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
(3aR,6S,6aR)-N-methyl-4-[(3R)-oxolane-3-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide has a molecular weight of 268.31 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aR)-N-methyl-4-[(3R)-oxolane-3-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is sourced from PubChem (CID 98894479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).