(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

C14H25N3O3 — CID 97377338

IUPAC(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
SMILESCNC(=O)[C@@H]1C[C@H]2CN(C(=O)COC)C[C@H]2N1C(C)C
InChIInChI=1S/C14H25N3O3/c1-9(2)17-11(14(19)15-3)5-10-6-16(7-12(10)17)13(18)8-20-4/h9-12H,5-8H2,1-4H3,(H,15,19)/t10-,11-,12+/m0/s1
InChIKeyFOOMXPXMARIGRR-SDDRHHMPSA-N
MW283.37 g/mol
LogP-0.31
Rot. Bonds4

About (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

(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 (PubChem CID 97377338) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97377338
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name(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
SMILESCNC(=O)[C@@H]1C[C@H]2CN(C(=O)COC)C[C@H]2N1C(C)C
InChIInChI=1S/C14H25N3O3/c1-9(2)17-11(14(19)15-3)5-10-6-16(7-12(10)17)13(18)8-20-4/h9-12H,5-8H2,1-4H3,(H,15,19)/t10-,11-,12+/m0/s1
InChIKeyFOOMXPXMARIGRR-SDDRHHMPSA-N
XLogP-0.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CNC(=O)[C@@H]1C[C@H]2CN(C(=O)COC)C[C@H]2N1C(C)C.
What is the InChIKey of (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?
The InChIKey is FOOMXPXMARIGRR-SDDRHHMPSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-9(2)17-11(14(19)15-3)5-10-6-16(7-12(10)17)13(18)8-20-4/h9-12H,5-8H2,1-4H3,(H,15,19)/t10-,11-,12+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 283.37 g/mol, XLogP of -0.31, 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-(2-methoxyacetyl)-N-methyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 97377338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).