(2S,3aS,6aS)-5-(furan-2-ylmethyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

C16H25N3O2 — CID 97377318

IUPAC(2S,3aS,6aS)-5-(furan-2-ylmethyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H]2CN(Cc3ccco3)C[C@H]2N1C(C)C
InChIInChI=1S/C16H25N3O2/c1-11(2)19-14(16(20)17-3)7-12-8-18(10-15(12)19)9-13-5-4-6-21-13/h4-6,11-12,14-15H,7-10H2,1-3H3,(H,17,20)/t12-,14-,15+/m0/s1
InChIKeyXYSVWXSFUCUVCN-AEGPPILISA-N
MW291.39 g/mol
LogP1.31
Rot. Bonds4

About (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

(2S,3aS,6aS)-5-(furan-2-ylmethyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (PubChem CID 97377318) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2S,3aS,6aS)-5-(furan-2-ylmethyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
PubChem CID97377318
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2S,3aS,6aS)-5-(furan-2-ylmethyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H]2CN(Cc3ccco3)C[C@H]2N1C(C)C
InChIInChI=1S/C16H25N3O2/c1-11(2)19-14(16(20)17-3)7-12-8-18(10-15(12)19)9-13-5-4-6-21-13/h4-6,11-12,14-15H,7-10H2,1-3H3,(H,17,20)/t12-,14-,15+/m0/s1
InChIKeyXYSVWXSFUCUVCN-AEGPPILISA-N
XLogP1.31
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide with MolForge

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Related Compounds

2-[1-(furan-2-ylmethyl)azetidin-3-yl]propanoic acid
CID 116683796
(3R,4S)-1-(furan-2-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120949908
(2S,3aS,6aS)-5-(2-methoxyacetyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 97377338
1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 106671878
(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420188
[5-(carboxyamino)-1-(furan-2-ylmethyl)piperidin-3-yl]carbamic acid
CID 118541836
2-[(1S,5R)-3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-propan-2-ylacetamide
CID 98815635
(2S,3aS,6aS)-N-methyl-1-methylsulfonyl-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 124800939
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
(4aS,7aR)-6-(furan-2-ylmethyl)-4-propan-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 124808437
(2R,3aR,6aR)-N-methyl-5-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155861363
(2S,3aS,6aS)-5-[(3-cyanophenyl)methyl]-N,1-dimethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 124809689

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (CID 97377318) is (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is CNC(=O)[C@@H]1C[C@H]2CN(Cc3ccco3)C[C@H]2N1C(C)C.
What is the InChIKey of (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The InChIKey is XYSVWXSFUCUVCN-AEGPPILISA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)19-14(16(20)17-3)7-12-8-18(10-15(12)19)9-13-5-4-6-21-13/h4-6,11-12,14-15H,7-10H2,1-3H3,(H,17,20)/t12-,14-,15+/m0/s1.
What are the key properties of (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
(2S,3aS,6aS)-5-(furan-2-ylmethyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,6aS)-5-(furan-2-ylmethyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 97377318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).