2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(methylcarbamoyl)propanamide

C11H20N4O2 — CID 64851991

IUPAC2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1C[C@@H]2CCN[C@@H]2C1
InChIInChI=1S/C11H20N4O2/c1-7(10(16)14-11(17)12-2)15-5-8-3-4-13-9(8)6-15/h7-9,13H,3-6H2,1-2H3,(H2,12,14,16,17)/t7?,8-,9+/m0/s1
InChIKeyFFBNKXVBYLGYMA-SXNZSPLWSA-N
MW240.31 g/mol
LogP-0.88
Rot. Bonds2

About 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(methylcarbamoyl)propanamide

2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 64851991) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(methylcarbamoyl)propanamide
PubChem CID64851991
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1C[C@@H]2CCN[C@@H]2C1
InChIInChI=1S/C11H20N4O2/c1-7(10(16)14-11(17)12-2)15-5-8-3-4-13-9(8)6-15/h7-9,13H,3-6H2,1-2H3,(H2,12,14,16,17)/t7?,8-,9+/m0/s1
InChIKeyFFBNKXVBYLGYMA-SXNZSPLWSA-N
XLogP-0.88
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(methylcarbamoyl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(methylcarbamoyl)propanamide (CID 64851991) is 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N1C[C@@H]2CCN[C@@H]2C1.
What is the InChIKey of 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is FFBNKXVBYLGYMA-SXNZSPLWSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-7(10(16)14-11(17)12-2)15-5-8-3-4-13-9(8)6-15/h7-9,13H,3-6H2,1-2H3,(H2,12,14,16,17)/t7?,8-,9+/m0/s1.
What are the key properties of 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(methylcarbamoyl)propanamide?
2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 240.31 g/mol, XLogP of -0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 64851991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).