2-[2-amino-2-(oxolan-3-yl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C15H24N2O3 — CID 114513413

IUPAC2-[2-amino-2-(oxolan-3-yl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1CC2C(=O)N(CC(N)C3CCOC3)C(=O)C2C1
InChIInChI=1S/C15H24N2O3/c1-2-9-5-11-12(6-9)15(19)17(14(11)18)7-13(16)10-3-4-20-8-10/h9-13H,2-8,16H2,1H3
InChIKeyVAHKFEOKPWMPRO-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.77
Rot. Bonds4

About 2-[2-amino-2-(oxolan-3-yl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-[2-amino-2-(oxolan-3-yl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114513413) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[2-amino-2-(oxolan-3-yl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[2-amino-2-(oxolan-3-yl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID114513413
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[2-amino-2-(oxolan-3-yl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1CC2C(=O)N(CC(N)C3CCOC3)C(=O)C2C1
InChIInChI=1S/C15H24N2O3/c1-2-9-5-11-12(6-9)15(19)17(14(11)18)7-13(16)10-3-4-20-8-10/h9-13H,2-8,16H2,1H3
InChIKeyVAHKFEOKPWMPRO-UHFFFAOYSA-N
XLogP0.77
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104747851
3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 63762501
1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione
CID 104747986
3-(2-amino-2-cyclohexylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 113448482
1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 104753310
1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one
CID 104747379
5-ethyl-2-[2-(ethylamino)-3-methylbutyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513447
5-ethyl-2-[2-(ethylamino)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513427
1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one
CID 104747033
2-[4-(aminomethyl)oxan-4-yl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 106301472
2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 104747758
5-ethyl-2-(4-hydroxy-2-methylbutyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513192

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(oxolan-3-yl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[2-amino-2-(oxolan-3-yl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114513413) is 2-[2-amino-2-(oxolan-3-yl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[2-amino-2-(oxolan-3-yl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[2-amino-2-(oxolan-3-yl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CCC1CC2C(=O)N(CC(N)C3CCOC3)C(=O)C2C1.
What is the InChIKey of 2-[2-amino-2-(oxolan-3-yl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is VAHKFEOKPWMPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-9-5-11-12(6-9)15(19)17(14(11)18)7-13(16)10-3-4-20-8-10/h9-13H,2-8,16H2,1H3.
What are the key properties of 2-[2-amino-2-(oxolan-3-yl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[2-amino-2-(oxolan-3-yl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 280.37 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(oxolan-3-yl)ethyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114513413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).