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

C15H23N3O3 — CID 146119882

IUPAC(3S,3aS,6aS)-N-cyclopropyl-3-(cyclopropylmethoxy)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
SMILESCN1C(=O)[C@@H](OCC2CC2)[C@H]2CN(C(=O)NC3CC3)C[C@H]21
InChIInChI=1S/C15H23N3O3/c1-17-12-7-18(15(20)16-10-4-5-10)6-11(12)13(14(17)19)21-8-9-2-3-9/h9-13H,2-8H2,1H3,(H,16,20)/t11-,12+,13-/m0/s1
InChIKeyODCUPZQCSUEMAY-XQQFMLRXSA-N
MW293.37 g/mol
LogP0.43
Rot. Bonds4

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

(3S,3aS,6aS)-N-cyclopropyl-3-(cyclopropylmethoxy)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide (PubChem CID 146119882) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (3S,3aS,6aS)-N-cyclopropyl-3-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
PubChem CID146119882
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(3S,3aS,6aS)-N-cyclopropyl-3-(cyclopropylmethoxy)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
SMILESCN1C(=O)[C@@H](OCC2CC2)[C@H]2CN(C(=O)NC3CC3)C[C@H]21
InChIInChI=1S/C15H23N3O3/c1-17-12-7-18(15(20)16-10-4-5-10)6-11(12)13(14(17)19)21-8-9-2-3-9/h9-13H,2-8H2,1H3,(H,16,20)/t11-,12+,13-/m0/s1
InChIKeyODCUPZQCSUEMAY-XQQFMLRXSA-N
XLogP0.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,3aS,6aS)-N-cyclopropyl-3-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide (CID 146119882) is (3S,3aS,6aS)-N-cyclopropyl-3-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide is CN1C(=O)[C@@H](OCC2CC2)[C@H]2CN(C(=O)NC3CC3)C[C@H]21.
What is the InChIKey of (3S,3aS,6aS)-N-cyclopropyl-3-(cyclopropylmethoxy)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
The InChIKey is ODCUPZQCSUEMAY-XQQFMLRXSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-17-12-7-18(15(20)16-10-4-5-10)6-11(12)13(14(17)19)21-8-9-2-3-9/h9-13H,2-8H2,1H3,(H,16,20)/t11-,12+,13-/m0/s1.
What are the key properties of (3S,3aS,6aS)-N-cyclopropyl-3-(cyclopropylmethoxy)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
(3S,3aS,6aS)-N-cyclopropyl-3-(cyclopropylmethoxy)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aS)-N-cyclopropyl-3-(cyclopropylmethoxy)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide is sourced from PubChem (CID 146119882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).