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

C13H23N3O — CID 60916989

IUPAC2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-cyclopentylacetamide
SMILESO=C(CN1CC2CNCC2C1)NC1CCCC1
InChIInChI=1S/C13H23N3O/c17-13(15-12-3-1-2-4-12)9-16-7-10-5-14-6-11(10)8-16/h10-12,14H,1-9H2,(H,15,17)
InChIKeyLGARYEXFVRUYPM-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.20
Rot. Bonds3

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

2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-cyclopentylacetamide (PubChem CID 60916989) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-cyclopentylacetamide
PubChem CID60916989
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-cyclopentylacetamide
SMILESO=C(CN1CC2CNCC2C1)NC1CCCC1
InChIInChI=1S/C13H23N3O/c17-13(15-12-3-1-2-4-12)9-16-7-10-5-14-6-11(10)8-16/h10-12,14H,1-9H2,(H,15,17)
InChIKeyLGARYEXFVRUYPM-UHFFFAOYSA-N
XLogP0.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63090926
2-(3-aminoazetidin-1-yl)-N-cycloheptylacetamide
CID 63760720
N-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride
CID 119924112
N-cyclohexyl-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
CID 66196372
2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616897
N-cyclooctyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2446989
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methylbutan-2-yl)acetamide
CID 60916171
N-cyclopentyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962574
N-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410043
N-cyclobutyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
CID 116658653
N-cyclohexyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107225773
methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetate
CID 60915647

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-cyclopentylacetamide?
The IUPAC name of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-cyclopentylacetamide (CID 60916989) is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-cyclopentylacetamide?
The canonical SMILES for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-cyclopentylacetamide is O=C(CN1CC2CNCC2C1)NC1CCCC1.
What is the InChIKey of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-cyclopentylacetamide?
The InChIKey is LGARYEXFVRUYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c17-13(15-12-3-1-2-4-12)9-16-7-10-5-14-6-11(10)8-16/h10-12,14H,1-9H2,(H,15,17).
What are the key properties of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-cyclopentylacetamide?
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-cyclopentylacetamide has a molecular weight of 237.35 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-cyclopentylacetamide is sourced from PubChem (CID 60916989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).