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

C12H22N4O2 — CID 64850450

IUPAC2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N1C[C@@H]2CCN[C@@H]2C1
InChIInChI=1S/C12H22N4O2/c1-3-13-12(18)15-11(17)8(2)16-6-9-4-5-14-10(9)7-16/h8-10,14H,3-7H2,1-2H3,(H2,13,15,17,18)/t8?,9-,10+/m0/s1
InChIKeyPWQYOMQMAWEJAX-CBMCFHRWSA-N
MW254.33 g/mol
LogP-0.49
Rot. Bonds3

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

2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(ethylcarbamoyl)propanamide (PubChem CID 64850450) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 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-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(ethylcarbamoyl)propanamide
PubChem CID64850450
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N1C[C@@H]2CCN[C@@H]2C1
InChIInChI=1S/C12H22N4O2/c1-3-13-12(18)15-11(17)8(2)16-6-9-4-5-14-10(9)7-16/h8-10,14H,3-7H2,1-2H3,(H2,13,15,17,18)/t8?,9-,10+/m0/s1
InChIKeyPWQYOMQMAWEJAX-CBMCFHRWSA-N
XLogP-0.49
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.49
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-(ethylcarbamoyl)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-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(ethylcarbamoyl)propanamide (CID 64850450) is 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(ethylcarbamoyl)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-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(ethylcarbamoyl)propanamide is CCNC(=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-(ethylcarbamoyl)propanamide?
The InChIKey is PWQYOMQMAWEJAX-CBMCFHRWSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-13-12(18)15-11(17)8(2)16-6-9-4-5-14-10(9)7-16/h8-10,14H,3-7H2,1-2H3,(H2,13,15,17,18)/t8?,9-,10+/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-(ethylcarbamoyl)propanamide?
2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-(ethylcarbamoyl)propanamide has a molecular weight of 254.33 g/mol, XLogP of -0.49, 3 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-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 64850450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).