(3S,3aS,6aS)-3-methoxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide

C12H21N3O3 — CID 146119857

IUPAC(3S,3aS,6aS)-3-methoxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
SMILESCO[C@@H]1C(=O)N(C)[C@@H]2CN(C(=O)NC(C)C)C[C@H]12
InChIInChI=1S/C12H21N3O3/c1-7(2)13-12(17)15-5-8-9(6-15)14(3)11(16)10(8)18-4/h7-10H,5-6H2,1-4H3,(H,13,17)/t8-,9+,10-/m0/s1
InChIKeyQMUYOINSSUDLFE-AEJSXWLSSA-N
MW255.32 g/mol
LogP-0.11
Rot. Bonds2

About (3S,3aS,6aS)-3-methoxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide

(3S,3aS,6aS)-3-methoxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide (PubChem CID 146119857) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is (3S,3aS,6aS)-3-methoxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3S,3aS,6aS)-3-methoxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
PubChem CID146119857
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name(3S,3aS,6aS)-3-methoxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
SMILESCO[C@@H]1C(=O)N(C)[C@@H]2CN(C(=O)NC(C)C)C[C@H]12
InChIInChI=1S/C12H21N3O3/c1-7(2)13-12(17)15-5-8-9(6-15)14(3)11(16)10(8)18-4/h7-10H,5-6H2,1-4H3,(H,13,17)/t8-,9+,10-/m0/s1
InChIKeyQMUYOINSSUDLFE-AEJSXWLSSA-N
XLogP-0.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,3aS,6aS)-3-methoxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aS)-3-methoxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
The IUPAC name of (3S,3aS,6aS)-3-methoxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide (CID 146119857) is (3S,3aS,6aS)-3-methoxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide.
What is the SMILES notation for (3S,3aS,6aS)-3-methoxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
The canonical SMILES for (3S,3aS,6aS)-3-methoxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide is CO[C@@H]1C(=O)N(C)[C@@H]2CN(C(=O)NC(C)C)C[C@H]12.
What is the InChIKey of (3S,3aS,6aS)-3-methoxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
The InChIKey is QMUYOINSSUDLFE-AEJSXWLSSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-7(2)13-12(17)15-5-8-9(6-15)14(3)11(16)10(8)18-4/h7-10H,5-6H2,1-4H3,(H,13,17)/t8-,9+,10-/m0/s1.
What are the key properties of (3S,3aS,6aS)-3-methoxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
(3S,3aS,6aS)-3-methoxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide has a molecular weight of 255.32 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aS)-3-methoxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide is sourced from PubChem (CID 146119857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).