(3aS,4R,5S,6aR)-4-(aminomethyl)-5-methyl-1-(2-morpholin-4-ylethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one

C15H27N3O2 — CID 146118387

IUPAC(3aS,4R,5S,6aR)-4-(aminomethyl)-5-methyl-1-(2-morpholin-4-ylethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one
SMILESC[C@H]1C[C@@H]2[C@@H](CC(=O)N2CCN2CCOCC2)[C@@H]1CN
InChIInChI=1S/C15H27N3O2/c1-11-8-14-12(13(11)10-16)9-15(19)18(14)3-2-17-4-6-20-7-5-17/h11-14H,2-10,16H2,1H3/t11-,12-,13+,14+/m0/s1
InChIKeyCLUBTTMIXKTVHN-IGQOVBAYSA-N
MW281.40 g/mol
LogP0.15
Rot. Bonds4

About (3aS,4R,5S,6aR)-4-(aminomethyl)-5-methyl-1-(2-morpholin-4-ylethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one

(3aS,4R,5S,6aR)-4-(aminomethyl)-5-methyl-1-(2-morpholin-4-ylethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one (PubChem CID 146118387) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (3aS,4R,5S,6aR)-4-(aminomethyl)-5-methyl-1-(2-morpholin-4-ylethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one.

Molecular Properties

Compound Name(3aS,4R,5S,6aR)-4-(aminomethyl)-5-methyl-1-(2-morpholin-4-ylethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one
PubChem CID146118387
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(3aS,4R,5S,6aR)-4-(aminomethyl)-5-methyl-1-(2-morpholin-4-ylethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one
SMILESC[C@H]1C[C@@H]2[C@@H](CC(=O)N2CCN2CCOCC2)[C@@H]1CN
InChIInChI=1S/C15H27N3O2/c1-11-8-14-12(13(11)10-16)9-15(19)18(14)3-2-17-4-6-20-7-5-17/h11-14H,2-10,16H2,1H3/t11-,12-,13+,14+/m0/s1
InChIKeyCLUBTTMIXKTVHN-IGQOVBAYSA-N
XLogP0.15
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aS,4R,5S,6aR)-4-(aminomethyl)-5-methyl-1-(2-morpholin-4-ylethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one with MolForge

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Related Compounds

N-[[(3aS,4R,5S,6aR)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]-2-methoxyacetamide
CID 146118356
N-[[(3aS,4R,5S,6aR)-5-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-4-yl]methyl]benzenesulfonamide
CID 146118371
5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one
CID 79354825
(3aR,6aS)-1-[(5-ethylfuran-2-yl)methyl]-4-(2-morpholin-4-ylethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 124914004
1-[(5-ethylfuran-2-yl)methyl]-4-(2-morpholin-4-ylethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 134690460
(3aS,6aR)-1-benzyl-4-(2-morpholin-4-ylethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 124788674
[3,5-dimethyl-1-(2-morpholin-4-ylethyl)piperidin-2-yl]methanamine
CID 113365446
(3S)-3-amino-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione
CID 39220953
(3aR,6aS)-4-(2-morpholin-4-ylethyl)-1-(1H-pyrrole-2-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 97386335
(2S,3S)-1-(2-morpholin-4-ylethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 94217776
(2R,3R)-2-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 95763632
2,5-diethyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one
CID 83250866

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,5S,6aR)-4-(aminomethyl)-5-methyl-1-(2-morpholin-4-ylethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one?
The IUPAC name of (3aS,4R,5S,6aR)-4-(aminomethyl)-5-methyl-1-(2-morpholin-4-ylethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one (CID 146118387) is (3aS,4R,5S,6aR)-4-(aminomethyl)-5-methyl-1-(2-morpholin-4-ylethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one.
What is the SMILES notation for (3aS,4R,5S,6aR)-4-(aminomethyl)-5-methyl-1-(2-morpholin-4-ylethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one?
The canonical SMILES for (3aS,4R,5S,6aR)-4-(aminomethyl)-5-methyl-1-(2-morpholin-4-ylethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one is C[C@H]1C[C@@H]2[C@@H](CC(=O)N2CCN2CCOCC2)[C@@H]1CN.
What is the InChIKey of (3aS,4R,5S,6aR)-4-(aminomethyl)-5-methyl-1-(2-morpholin-4-ylethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one?
The InChIKey is CLUBTTMIXKTVHN-IGQOVBAYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11-8-14-12(13(11)10-16)9-15(19)18(14)3-2-17-4-6-20-7-5-17/h11-14H,2-10,16H2,1H3/t11-,12-,13+,14+/m0/s1.
What are the key properties of (3aS,4R,5S,6aR)-4-(aminomethyl)-5-methyl-1-(2-morpholin-4-ylethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one?
(3aS,4R,5S,6aR)-4-(aminomethyl)-5-methyl-1-(2-morpholin-4-ylethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one has a molecular weight of 281.40 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,5S,6aR)-4-(aminomethyl)-5-methyl-1-(2-morpholin-4-ylethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one is sourced from PubChem (CID 146118387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).