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

C14H23N3O3 — CID 146119890

IUPAC(3S,3aS,6aS)-N-cyclopentyl-3-methoxy-1-methyl-2-oxo-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)NC3CCCC3)C[C@H]12
InChIInChI=1S/C14H23N3O3/c1-16-11-8-17(7-10(11)12(20-2)13(16)18)14(19)15-9-5-3-4-6-9/h9-12H,3-8H2,1-2H3,(H,15,19)/t10-,11+,12-/m0/s1
InChIKeyFOYGHZVOABOSRA-TUAOUCFPSA-N
MW281.36 g/mol
LogP0.43
Rot. Bonds2

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

(3S,3aS,6aS)-N-cyclopentyl-3-methoxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide (PubChem CID 146119890) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3S,3aS,6aS)-N-cyclopentyl-3-methoxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3S,3aS,6aS)-N-cyclopentyl-3-methoxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
PubChem CID146119890
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name(3S,3aS,6aS)-N-cyclopentyl-3-methoxy-1-methyl-2-oxo-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)NC3CCCC3)C[C@H]12
InChIInChI=1S/C14H23N3O3/c1-16-11-8-17(7-10(11)12(20-2)13(16)18)14(19)15-9-5-3-4-6-9/h9-12H,3-8H2,1-2H3,(H,15,19)/t10-,11+,12-/m0/s1
InChIKeyFOYGHZVOABOSRA-TUAOUCFPSA-N
XLogP0.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,3aS,6aS)-N-cyclopentyl-3-methoxy-1-methyl-2-oxo-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)-N-cyclopentyl-3-methoxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
The IUPAC name of (3S,3aS,6aS)-N-cyclopentyl-3-methoxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide (CID 146119890) is (3S,3aS,6aS)-N-cyclopentyl-3-methoxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide.
What is the SMILES notation for (3S,3aS,6aS)-N-cyclopentyl-3-methoxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
The canonical SMILES for (3S,3aS,6aS)-N-cyclopentyl-3-methoxy-1-methyl-2-oxo-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)NC3CCCC3)C[C@H]12.
What is the InChIKey of (3S,3aS,6aS)-N-cyclopentyl-3-methoxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
The InChIKey is FOYGHZVOABOSRA-TUAOUCFPSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-16-11-8-17(7-10(11)12(20-2)13(16)18)14(19)15-9-5-3-4-6-9/h9-12H,3-8H2,1-2H3,(H,15,19)/t10-,11+,12-/m0/s1.
What are the key properties of (3S,3aS,6aS)-N-cyclopentyl-3-methoxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
(3S,3aS,6aS)-N-cyclopentyl-3-methoxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aS)-N-cyclopentyl-3-methoxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide is sourced from PubChem (CID 146119890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).