(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

C15H25N3O4 — CID 146119883

IUPAC(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
SMILESCOCCNC(=O)N1C[C@@H]2[C@H](OCC3CC3)C(=O)N(C)[C@@H]2C1
InChIInChI=1S/C15H25N3O4/c1-17-12-8-18(15(20)16-5-6-21-2)7-11(12)13(14(17)19)22-9-10-3-4-10/h10-13H,3-9H2,1-2H3,(H,16,20)/t11-,12+,13-/m0/s1
InChIKeyZUQDFROMDIEKCS-XQQFMLRXSA-N
MW311.38 g/mol
LogP-0.09
Rot. Bonds6

About (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

(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 (PubChem CID 146119883) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146119883
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name(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
SMILESCOCCNC(=O)N1C[C@@H]2[C@H](OCC3CC3)C(=O)N(C)[C@@H]2C1
InChIInChI=1S/C15H25N3O4/c1-17-12-8-18(15(20)16-5-6-21-2)7-11(12)13(14(17)19)22-9-10-3-4-10/h10-13H,3-9H2,1-2H3,(H,16,20)/t11-,12+,13-/m0/s1
InChIKeyZUQDFROMDIEKCS-XQQFMLRXSA-N
XLogP-0.09
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Related Compounds

CID 138046521
CID 138046521
CID 146119671
CID 146119671
CID 146119675
CID 146119675
CID 146119687
CID 146119687
CID 146119688
CID 146119688
CID 146119842
CID 146119842
CID 146119857
CID 146119857
CID 146119866
CID 146119866
CID 146119870
CID 146119870
CID 146119882
CID 146119882
CID 146119885
CID 146119885
CID 146119886
CID 146119886

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COCCNC(=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)-N-(2-methoxyethyl)-1-methyl-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide?
The InChIKey is ZUQDFROMDIEKCS-XQQFMLRXSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-17-12-8-18(15(20)16-5-6-21-2)7-11(12)13(14(17)19)22-9-10-3-4-10/h10-13H,3-9H2,1-2H3,(H,16,20)/t11-,12+,13-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 311.38 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 146119883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).