(3aR,5R,7aR)-1-N,1-N,5-N-trimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1,5-dicarboxamide

C12H21N3O3 — CID 97461724

IUPAC(3aR,5R,7aR)-1-N,1-N,5-N-trimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1,5-dicarboxamide
SMILESCNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)N(C)C)O1
InChIInChI=1S/C12H21N3O3/c1-13-11(16)10-5-4-8-9(18-10)6-7-15(8)12(17)14(2)3/h8-10H,4-7H2,1-3H3,(H,13,16)/t8-,9-,10-/m1/s1
InChIKeyQETZPOGXMNSSPT-OPRDCNLKSA-N
MW255.32 g/mol
LogP0.04
Rot. Bonds1

About (3aR,5R,7aR)-1-N,1-N,5-N-trimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1,5-dicarboxamide

(3aR,5R,7aR)-1-N,1-N,5-N-trimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1,5-dicarboxamide (PubChem CID 97461724) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is (3aR,5R,7aR)-1-N,1-N,5-N-trimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1,5-dicarboxamide.

Molecular Properties

Compound Name(3aR,5R,7aR)-1-N,1-N,5-N-trimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1,5-dicarboxamide
PubChem CID97461724
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name(3aR,5R,7aR)-1-N,1-N,5-N-trimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1,5-dicarboxamide
SMILESCNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)N(C)C)O1
InChIInChI=1S/C12H21N3O3/c1-13-11(16)10-5-4-8-9(18-10)6-7-15(8)12(17)14(2)3/h8-10H,4-7H2,1-3H3,(H,13,16)/t8-,9-,10-/m1/s1
InChIKeyQETZPOGXMNSSPT-OPRDCNLKSA-N
XLogP0.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,5R,7aR)-1-N,1-N,5-N-trimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,7aR)-1-N,1-N,5-N-trimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1,5-dicarboxamide?
The IUPAC name of (3aR,5R,7aR)-1-N,1-N,5-N-trimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1,5-dicarboxamide (CID 97461724) is (3aR,5R,7aR)-1-N,1-N,5-N-trimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1,5-dicarboxamide.
What is the SMILES notation for (3aR,5R,7aR)-1-N,1-N,5-N-trimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1,5-dicarboxamide?
The canonical SMILES for (3aR,5R,7aR)-1-N,1-N,5-N-trimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1,5-dicarboxamide is CNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)N(C)C)O1.
What is the InChIKey of (3aR,5R,7aR)-1-N,1-N,5-N-trimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1,5-dicarboxamide?
The InChIKey is QETZPOGXMNSSPT-OPRDCNLKSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-13-11(16)10-5-4-8-9(18-10)6-7-15(8)12(17)14(2)3/h8-10H,4-7H2,1-3H3,(H,13,16)/t8-,9-,10-/m1/s1.
What are the key properties of (3aR,5R,7aR)-1-N,1-N,5-N-trimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1,5-dicarboxamide?
(3aR,5R,7aR)-1-N,1-N,5-N-trimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1,5-dicarboxamide has a molecular weight of 255.32 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,7aR)-1-N,1-N,5-N-trimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1,5-dicarboxamide is sourced from PubChem (CID 97461724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).