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

C11H19N3O3 — CID 146119671

IUPAC(3S,3aS,6aS)-3-hydroxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
SMILESCC(C)NC(=O)N1C[C@@H]2[C@H](O)C(=O)N(C)[C@@H]2C1
InChIInChI=1S/C11H19N3O3/c1-6(2)12-11(17)14-4-7-8(5-14)13(3)10(16)9(7)15/h6-9,15H,4-5H2,1-3H3,(H,12,17)/t7-,8+,9-/m0/s1
InChIKeyUGSSOIDDQYZYRP-YIZRAAEISA-N
MW241.29 g/mol
LogP-0.76
Rot. Bonds1

About (3S,3aS,6aS)-3-hydroxy-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-hydroxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide (PubChem CID 146119671) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (3S,3aS,6aS)-3-hydroxy-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-hydroxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
PubChem CID146119671
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(3S,3aS,6aS)-3-hydroxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
SMILESCC(C)NC(=O)N1C[C@@H]2[C@H](O)C(=O)N(C)[C@@H]2C1
InChIInChI=1S/C11H19N3O3/c1-6(2)12-11(17)14-4-7-8(5-14)13(3)10(16)9(7)15/h6-9,15H,4-5H2,1-3H3,(H,12,17)/t7-,8+,9-/m0/s1
InChIKeyUGSSOIDDQYZYRP-YIZRAAEISA-N
XLogP-0.76
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,3aS,6aS)-3-hydroxy-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-hydroxy-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-hydroxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide (CID 146119671) is (3S,3aS,6aS)-3-hydroxy-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-hydroxy-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-hydroxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide is CC(C)NC(=O)N1C[C@@H]2[C@H](O)C(=O)N(C)[C@@H]2C1.
What is the InChIKey of (3S,3aS,6aS)-3-hydroxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
The InChIKey is UGSSOIDDQYZYRP-YIZRAAEISA-N. The full InChI is InChI=1S/C11H19N3O3/c1-6(2)12-11(17)14-4-7-8(5-14)13(3)10(16)9(7)15/h6-9,15H,4-5H2,1-3H3,(H,12,17)/t7-,8+,9-/m0/s1.
What are the key properties of (3S,3aS,6aS)-3-hydroxy-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-hydroxy-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 241.29 g/mol, XLogP of -0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aS)-3-hydroxy-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 146119671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).