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

C13H21N3O3 — CID 146119675

IUPAC(3S,3aS,6aS)-N-cyclopentyl-3-hydroxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
SMILESCN1C(=O)[C@@H](O)[C@H]2CN(C(=O)NC3CCCC3)C[C@H]21
InChIInChI=1S/C13H21N3O3/c1-15-10-7-16(6-9(10)11(17)12(15)18)13(19)14-8-4-2-3-5-8/h8-11,17H,2-7H2,1H3,(H,14,19)/t9-,10+,11-/m0/s1
InChIKeyUBAFUMZMUGZHBT-AXFHLTTASA-N
MW267.33 g/mol
LogP-0.23
Rot. Bonds1

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

(3S,3aS,6aS)-N-cyclopentyl-3-hydroxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide (PubChem CID 146119675) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3S,3aS,6aS)-N-cyclopentyl-3-hydroxy-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-hydroxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
PubChem CID146119675
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name(3S,3aS,6aS)-N-cyclopentyl-3-hydroxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
SMILESCN1C(=O)[C@@H](O)[C@H]2CN(C(=O)NC3CCCC3)C[C@H]21
InChIInChI=1S/C13H21N3O3/c1-15-10-7-16(6-9(10)11(17)12(15)18)13(19)14-8-4-2-3-5-8/h8-11,17H,2-7H2,1H3,(H,14,19)/t9-,10+,11-/m0/s1
InChIKeyUBAFUMZMUGZHBT-AXFHLTTASA-N
XLogP-0.23
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,3aS,6aS)-N-cyclopentyl-3-hydroxy-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-hydroxy-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-hydroxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide (CID 146119675) is (3S,3aS,6aS)-N-cyclopentyl-3-hydroxy-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-hydroxy-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-hydroxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide is CN1C(=O)[C@@H](O)[C@H]2CN(C(=O)NC3CCCC3)C[C@H]21.
What is the InChIKey of (3S,3aS,6aS)-N-cyclopentyl-3-hydroxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
The InChIKey is UBAFUMZMUGZHBT-AXFHLTTASA-N. The full InChI is InChI=1S/C13H21N3O3/c1-15-10-7-16(6-9(10)11(17)12(15)18)13(19)14-8-4-2-3-5-8/h8-11,17H,2-7H2,1H3,(H,14,19)/t9-,10+,11-/m0/s1.
What are the key properties of (3S,3aS,6aS)-N-cyclopentyl-3-hydroxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
(3S,3aS,6aS)-N-cyclopentyl-3-hydroxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aS)-N-cyclopentyl-3-hydroxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide is sourced from PubChem (CID 146119675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).