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

C17H27N3O3 — CID 146119870

IUPAC(3S,3aS,6aS)-N-cyclopentyl-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)NC3CCCC3)C[C@H]21
InChIInChI=1S/C17H27N3O3/c1-19-14-9-20(17(22)18-12-4-2-3-5-12)8-13(14)15(16(19)21)23-10-11-6-7-11/h11-15H,2-10H2,1H3,(H,18,22)/t13-,14+,15-/m0/s1
InChIKeyKWGKWKVFRXSFTC-ZNMIVQPWSA-N
MW321.42 g/mol
LogP1.21
Rot. Bonds4

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

(3S,3aS,6aS)-N-cyclopentyl-3-(cyclopropylmethoxy)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide (PubChem CID 146119870) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (3S,3aS,6aS)-N-cyclopentyl-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-cyclopentyl-3-(cyclopropylmethoxy)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
PubChem CID146119870
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(3S,3aS,6aS)-N-cyclopentyl-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)NC3CCCC3)C[C@H]21
InChIInChI=1S/C17H27N3O3/c1-19-14-9-20(17(22)18-12-4-2-3-5-12)8-13(14)15(16(19)21)23-10-11-6-7-11/h11-15H,2-10H2,1H3,(H,18,22)/t13-,14+,15-/m0/s1
InChIKeyKWGKWKVFRXSFTC-ZNMIVQPWSA-N
XLogP1.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,3aS,6aS)-N-cyclopentyl-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-cyclopentyl-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-cyclopentyl-3-(cyclopropylmethoxy)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide (CID 146119870) is (3S,3aS,6aS)-N-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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)NC3CCCC3)C[C@H]21.
What is the InChIKey of (3S,3aS,6aS)-N-cyclopentyl-3-(cyclopropylmethoxy)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
The InChIKey is KWGKWKVFRXSFTC-ZNMIVQPWSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-19-14-9-20(17(22)18-12-4-2-3-5-12)8-13(14)15(16(19)21)23-10-11-6-7-11/h11-15H,2-10H2,1H3,(H,18,22)/t13-,14+,15-/m0/s1.
What are the key properties of (3S,3aS,6aS)-N-cyclopentyl-3-(cyclopropylmethoxy)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
(3S,3aS,6aS)-N-cyclopentyl-3-(cyclopropylmethoxy)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.21, 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-cyclopentyl-3-(cyclopropylmethoxy)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide is sourced from PubChem (CID 146119870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).