(3aR,6aR)-5-(cyclopropanecarbonyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

C19H32N4O3 — CID 50980850

IUPAC(3aR,6aR)-5-(cyclopropanecarbonyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCC(C)(CN1CCOCC1)NC(=O)[C@@]12CNC[C@@H]1CN(C(=O)C1CC1)C2
InChIInChI=1S/C19H32N4O3/c1-18(2,12-22-5-7-26-8-6-22)21-17(25)19-11-20-9-15(19)10-23(13-19)16(24)14-3-4-14/h14-15,20H,3-13H2,1-2H3,(H,21,25)/t15-,19-/m1/s1
InChIKeyJGFDJLPCRFIGIV-DNVCBOLYSA-N
MW364.49 g/mol
LogP-0.33
Rot. Bonds5

About (3aR,6aR)-5-(cyclopropanecarbonyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

(3aR,6aR)-5-(cyclopropanecarbonyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 50980850) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is (3aR,6aR)-5-(cyclopropanecarbonyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-5-(cyclopropanecarbonyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
PubChem CID50980850
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name(3aR,6aR)-5-(cyclopropanecarbonyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCC(C)(CN1CCOCC1)NC(=O)[C@@]12CNC[C@@H]1CN(C(=O)C1CC1)C2
InChIInChI=1S/C19H32N4O3/c1-18(2,12-22-5-7-26-8-6-22)21-17(25)19-11-20-9-15(19)10-23(13-19)16(24)14-3-4-14/h14-15,20H,3-13H2,1-2H3,(H,21,25)/t15-,19-/m1/s1
InChIKeyJGFDJLPCRFIGIV-DNVCBOLYSA-N
XLogP-0.33
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3aR,6aR)-5-(cyclopropanecarbonyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-(cyclopropanecarbonyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-5-(cyclopropanecarbonyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (CID 50980850) is (3aR,6aR)-5-(cyclopropanecarbonyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-5-(cyclopropanecarbonyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-5-(cyclopropanecarbonyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is CC(C)(CN1CCOCC1)NC(=O)[C@@]12CNC[C@@H]1CN(C(=O)C1CC1)C2.
What is the InChIKey of (3aR,6aR)-5-(cyclopropanecarbonyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is JGFDJLPCRFIGIV-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-18(2,12-22-5-7-26-8-6-22)21-17(25)19-11-20-9-15(19)10-23(13-19)16(24)14-3-4-14/h14-15,20H,3-13H2,1-2H3,(H,21,25)/t15-,19-/m1/s1.
What are the key properties of (3aR,6aR)-5-(cyclopropanecarbonyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
(3aR,6aR)-5-(cyclopropanecarbonyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 364.49 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-(cyclopropanecarbonyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 50980850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).