1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C13H22N2O2 — CID 114238913

IUPAC1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC1(C)C(O)CC1NC1CC(=O)N2CCCC12
InChIInChI=1S/C13H22N2O2/c1-13(2)10(7-11(13)16)14-8-6-12(17)15-5-3-4-9(8)15/h8-11,14,16H,3-7H2,1-2H3
InChIKeyYZNRXFHCWYSQID-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.50
Rot. Bonds2

About 1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one

1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 114238913) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID114238913
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC1(C)C(O)CC1NC1CC(=O)N2CCCC12
InChIInChI=1S/C13H22N2O2/c1-13(2)10(7-11(13)16)14-8-6-12(17)15-5-3-4-9(8)15/h8-11,14,16H,3-7H2,1-2H3
InChIKeyYZNRXFHCWYSQID-UHFFFAOYSA-N
XLogP0.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of 1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 114238913) is 1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for 1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for 1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one is CC1(C)C(O)CC1NC1CC(=O)N2CCCC12.
What is the InChIKey of 1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is YZNRXFHCWYSQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2)10(7-11(13)16)14-8-6-12(17)15-5-3-4-9(8)15/h8-11,14,16H,3-7H2,1-2H3.
What are the key properties of 1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 238.33 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 114238913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).