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

C15H25N3O3 — CID 146119866

IUPAC(3S,3aS,6aS)-3-(cyclopropylmethoxy)-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](OCC3CC3)C(=O)N(C)[C@@H]2C1
InChIInChI=1S/C15H25N3O3/c1-9(2)16-15(20)18-6-11-12(7-18)17(3)14(19)13(11)21-8-10-4-5-10/h9-13H,4-8H2,1-3H3,(H,16,20)/t11-,12+,13-/m0/s1
InChIKeyXJADKVYZQBEKBC-XQQFMLRXSA-N
MW295.38 g/mol
LogP0.67
Rot. Bonds4

About (3S,3aS,6aS)-3-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide (PubChem CID 146119866) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3S,3aS,6aS)-3-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
PubChem CID146119866
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(3S,3aS,6aS)-3-(cyclopropylmethoxy)-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](OCC3CC3)C(=O)N(C)[C@@H]2C1
InChIInChI=1S/C15H25N3O3/c1-9(2)16-15(20)18-6-11-12(7-18)17(3)14(19)13(11)21-8-10-4-5-10/h9-13H,4-8H2,1-3H3,(H,16,20)/t11-,12+,13-/m0/s1
InChIKeyXJADKVYZQBEKBC-XQQFMLRXSA-N
XLogP0.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,3aS,6aS)-3-(cyclopropylmethoxy)-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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Related Compounds

2-[(3aR,6aR)-1-(2-methoxypentanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(cyclopropylmethyl)-2-oxoacetamide
CID 138046521
(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
(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
(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
(3S,3aS,6aS)-3-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
CID 146119688
(3S,3aS,6aS)-3-(cyclopropylmethoxy)-1-methyl-5-(oxan-4-ylmethyl)-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
CID 146119841
(3S,3aS,6aS)-3-(cyclopropylmethoxy)-5-(cyclopropylmethyl)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
CID 146119842
(3S,3aS,6aS)-3-methoxy-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
CID 146119857
(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
(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
(3S,3aS,6aS)-3-(cyclopropylmethoxy)-N-(2-methoxyethyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
CID 146119883
(3S,3aS,6aS)-3-(cyclopropylmethoxy)-5-(2-methoxyacetyl)-1-methyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one
CID 146119885

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aS)-3-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide (CID 146119866) is (3S,3aS,6aS)-3-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-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](OCC3CC3)C(=O)N(C)[C@@H]2C1.
What is the InChIKey of (3S,3aS,6aS)-3-(cyclopropylmethoxy)-1-methyl-2-oxo-N-propan-2-yl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
The InChIKey is XJADKVYZQBEKBC-XQQFMLRXSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-9(2)16-15(20)18-6-11-12(7-18)17(3)14(19)13(11)21-8-10-4-5-10/h9-13H,4-8H2,1-3H3,(H,16,20)/t11-,12+,13-/m0/s1.
What are the key properties of (3S,3aS,6aS)-3-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-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 295.38 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aS)-3-(cyclopropylmethoxy)-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 146119866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).