[(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone

C13H22N2O — CID 124617878

IUPAC[(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone
SMILESN[C@@H]1CC[C@@H]2CN(C(=O)C3CCCC3)C[C@H]21
InChIInChI=1S/C13H22N2O/c14-12-6-5-10-7-15(8-11(10)12)13(16)9-3-1-2-4-9/h9-12H,1-8,14H2/t10-,11-,12-/m1/s1
InChIKeyWALAXMSPGJGGGP-IJLUTSLNSA-N
MW222.33 g/mol
LogP1.37
Rot. Bonds1

About [(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone

[(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone (PubChem CID 124617878) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone
PubChem CID124617878
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone
SMILESN[C@@H]1CC[C@@H]2CN(C(=O)C3CCCC3)C[C@H]21
InChIInChI=1S/C13H22N2O/c14-12-6-5-10-7-15(8-11(10)12)13(16)9-3-1-2-4-9/h9-12H,1-8,14H2/t10-,11-,12-/m1/s1
InChIKeyWALAXMSPGJGGGP-IJLUTSLNSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3aR,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone
CID 124741239
(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone
CID 69121814
(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[(1S)-2,2-dimethylcyclopropyl]methanone;hydrochloride
CID 86815216
(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-(thian-2-yl)methanone
CID 113414698
cyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185224
[(3aR,4R,5S,6aR)-4,5-bis(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclobutylmethanone
CID 154564170
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589
1-(cyclopentanecarbonyl)azetidine-3-sulfonamide
CID 127799605
1-(cyclohexanecarbonyl)azetidine-3-carbonitrile
CID 174175540
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019
(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706
(2R)-1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-ethoxypropan-1-one
CID 124829082

Frequently Asked Questions

What is the IUPAC name of [(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone?
The IUPAC name of [(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone (CID 124617878) is [(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone.
What is the SMILES notation for [(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone?
The canonical SMILES for [(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone is N[C@@H]1CC[C@@H]2CN(C(=O)C3CCCC3)C[C@H]21.
What is the InChIKey of [(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone?
The InChIKey is WALAXMSPGJGGGP-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H22N2O/c14-12-6-5-10-7-15(8-11(10)12)13(16)9-3-1-2-4-9/h9-12H,1-8,14H2/t10-,11-,12-/m1/s1.
What are the key properties of [(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone?
[(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone has a molecular weight of 222.33 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone is sourced from PubChem (CID 124617878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).