(2R,3aR,6aR)-N,1-dimethyl-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

C15H27N3O2 — CID 134690382

IUPAC(2R,3aR,6aR)-N,1-dimethyl-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCNC(=O)[C@H]1C[C@@H]2CN(CC3CCOCC3)C[C@@H]2N1C
InChIInChI=1S/C15H27N3O2/c1-16-15(19)13-7-12-9-18(10-14(12)17(13)2)8-11-3-5-20-6-4-11/h11-14H,3-10H2,1-2H3,(H,16,19)/t12-,13-,14+/m1/s1
InChIKeyAEPJPRDCRZNNLA-MCIONIFRSA-N
MW281.40 g/mol
LogP0.16
Rot. Bonds3

About (2R,3aR,6aR)-N,1-dimethyl-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

(2R,3aR,6aR)-N,1-dimethyl-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (PubChem CID 134690382) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2R,3aR,6aR)-N,1-dimethyl-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R,3aR,6aR)-N,1-dimethyl-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
PubChem CID134690382
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(2R,3aR,6aR)-N,1-dimethyl-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCNC(=O)[C@H]1C[C@@H]2CN(CC3CCOCC3)C[C@@H]2N1C
InChIInChI=1S/C15H27N3O2/c1-16-15(19)13-7-12-9-18(10-14(12)17(13)2)8-11-3-5-20-6-4-11/h11-14H,3-10H2,1-2H3,(H,16,19)/t12-,13-,14+/m1/s1
InChIKeyAEPJPRDCRZNNLA-MCIONIFRSA-N
XLogP0.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3aR,6aR)-N,1-dimethyl-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3aR,6aR)-N,1-dimethyl-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of (2R,3aR,6aR)-N,1-dimethyl-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (CID 134690382) is (2R,3aR,6aR)-N,1-dimethyl-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for (2R,3aR,6aR)-N,1-dimethyl-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for (2R,3aR,6aR)-N,1-dimethyl-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is CNC(=O)[C@H]1C[C@@H]2CN(CC3CCOCC3)C[C@@H]2N1C.
What is the InChIKey of (2R,3aR,6aR)-N,1-dimethyl-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The InChIKey is AEPJPRDCRZNNLA-MCIONIFRSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-16-15(19)13-7-12-9-18(10-14(12)17(13)2)8-11-3-5-20-6-4-11/h11-14H,3-10H2,1-2H3,(H,16,19)/t12-,13-,14+/m1/s1.
What are the key properties of (2R,3aR,6aR)-N,1-dimethyl-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
(2R,3aR,6aR)-N,1-dimethyl-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,6aR)-N,1-dimethyl-5-(oxan-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 134690382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).