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

C11H17N3O3 — CID 146119687

IUPAC(3S,3aS,6aS)-N-cyclopropyl-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)NC3CC3)C[C@H]21
InChIInChI=1S/C11H17N3O3/c1-13-8-5-14(11(17)12-6-2-3-6)4-7(8)9(15)10(13)16/h6-9,15H,2-5H2,1H3,(H,12,17)/t7-,8+,9-/m0/s1
InChIKeyKTLSJBRSDISYEO-YIZRAAEISA-N
MW239.27 g/mol
LogP-1.01
Rot. Bonds1

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

(3S,3aS,6aS)-N-cyclopropyl-3-hydroxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide (PubChem CID 146119687) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is (3S,3aS,6aS)-N-cyclopropyl-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-cyclopropyl-3-hydroxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
PubChem CID146119687
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name(3S,3aS,6aS)-N-cyclopropyl-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)NC3CC3)C[C@H]21
InChIInChI=1S/C11H17N3O3/c1-13-8-5-14(11(17)12-6-2-3-6)4-7(8)9(15)10(13)16/h6-9,15H,2-5H2,1H3,(H,12,17)/t7-,8+,9-/m0/s1
InChIKeyKTLSJBRSDISYEO-YIZRAAEISA-N
XLogP-1.01
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,3aS,6aS)-N-cyclopropyl-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-cyclopropyl-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-cyclopropyl-3-hydroxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide (CID 146119687) is (3S,3aS,6aS)-N-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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)NC3CC3)C[C@H]21.
What is the InChIKey of (3S,3aS,6aS)-N-cyclopropyl-3-hydroxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
The InChIKey is KTLSJBRSDISYEO-YIZRAAEISA-N. The full InChI is InChI=1S/C11H17N3O3/c1-13-8-5-14(11(17)12-6-2-3-6)4-7(8)9(15)10(13)16/h6-9,15H,2-5H2,1H3,(H,12,17)/t7-,8+,9-/m0/s1.
What are the key properties of (3S,3aS,6aS)-N-cyclopropyl-3-hydroxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
(3S,3aS,6aS)-N-cyclopropyl-3-hydroxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -1.01, 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-cyclopropyl-3-hydroxy-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide is sourced from PubChem (CID 146119687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).