(3aR,6aR)-5-(2-methoxyacetyl)-N-methyl-N-(3-methylbutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

C16H29N3O3 — CID 50952816

IUPAC(3aR,6aR)-5-(2-methoxyacetyl)-N-methyl-N-(3-methylbutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCOCC(=O)N1C[C@H]2CNC[C@@]2(C(=O)N(C)CCC(C)C)C1
InChIInChI=1S/C16H29N3O3/c1-12(2)5-6-18(3)15(21)16-10-17-7-13(16)8-19(11-16)14(20)9-22-4/h12-13,17H,5-11H2,1-4H3/t13-,16-/m1/s1
InChIKeyCCRCPLSUYIOOBV-CZUORRHYSA-N
MW311.43 g/mol
LogP0.19
Rot. Bonds6

About (3aR,6aR)-5-(2-methoxyacetyl)-N-methyl-N-(3-methylbutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

(3aR,6aR)-5-(2-methoxyacetyl)-N-methyl-N-(3-methylbutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 50952816) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is (3aR,6aR)-5-(2-methoxyacetyl)-N-methyl-N-(3-methylbutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-5-(2-methoxyacetyl)-N-methyl-N-(3-methylbutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
PubChem CID50952816
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name(3aR,6aR)-5-(2-methoxyacetyl)-N-methyl-N-(3-methylbutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCOCC(=O)N1C[C@H]2CNC[C@@]2(C(=O)N(C)CCC(C)C)C1
InChIInChI=1S/C16H29N3O3/c1-12(2)5-6-18(3)15(21)16-10-17-7-13(16)8-19(11-16)14(20)9-22-4/h12-13,17H,5-11H2,1-4H3/t13-,16-/m1/s1
InChIKeyCCRCPLSUYIOOBV-CZUORRHYSA-N
XLogP0.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,6aR)-5-(2-methoxyacetyl)-N-methyl-N-(3-methylbutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-N-(2-propoxyethyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
CID 50968689
2-Ethoxy-1-((3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethanone
CID 97031342
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-methoxyethanone
CID 44223028
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2R,6R)-6-methylmorpholin-2-yl]methanone
CID 141468230
1-(2-methoxyacetyl)-N-methylpyrrolidine-3-carboxamide
CID 176219873
(3,3-Dimethylpyrrolidin-1-yl)-(3-methoxypyrrolidin-3-yl)methanone
CID 176349961
(3,3-dimethylpyrrolidin-1-yl)-[(3S)-3-methoxypyrrolidin-3-yl]methanone
CID 176350184
(3S)-1-(2-methoxyacetyl)-N-methylpyrrolidine-3-carboxamide
CID 176625265
(3aR*,6aR*)-N-(1,1-dimethyl-2-pyrrolidin-1-ylethyl)-2-(methoxyacetyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
CID 50953556
(3aR*,6aR*)-2-(cyclopropylcarbonyl)-N-(3-morpholin-4-ylpropyl)hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
CID 50953651
(3aR*,6aR*)-3a-(2,5-dihydro-1H-pyrrol-1-ylcarbonyl)-2-(methoxyacetyl)octahydropyrrolo[3,4-c]pyrrole
CID 50958544
(3aR*,6aR*)-2-(methoxyacetyl)-3a-[(4-propyl-1,4-diazepan-1-yl)carbonyl]octahydropyrrolo[3,4-c]pyrrole
CID 50963814

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-(2-methoxyacetyl)-N-methyl-N-(3-methylbutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-5-(2-methoxyacetyl)-N-methyl-N-(3-methylbutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (CID 50952816) is (3aR,6aR)-5-(2-methoxyacetyl)-N-methyl-N-(3-methylbutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-5-(2-methoxyacetyl)-N-methyl-N-(3-methylbutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-5-(2-methoxyacetyl)-N-methyl-N-(3-methylbutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is COCC(=O)N1C[C@H]2CNC[C@@]2(C(=O)N(C)CCC(C)C)C1.
What is the InChIKey of (3aR,6aR)-5-(2-methoxyacetyl)-N-methyl-N-(3-methylbutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is CCRCPLSUYIOOBV-CZUORRHYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-12(2)5-6-18(3)15(21)16-10-17-7-13(16)8-19(11-16)14(20)9-22-4/h12-13,17H,5-11H2,1-4H3/t13-,16-/m1/s1.
What are the key properties of (3aR,6aR)-5-(2-methoxyacetyl)-N-methyl-N-(3-methylbutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
(3aR,6aR)-5-(2-methoxyacetyl)-N-methyl-N-(3-methylbutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-(2-methoxyacetyl)-N-methyl-N-(3-methylbutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 50952816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).