1-(3-aminocyclobutyl)-2-ethoxyethanone

C8H15NO2 — CID 165469777

IUPAC1-(3-aminocyclobutyl)-2-ethoxyethanone
SMILESCCOCC(=O)C1CC(N)C1
InChIInChI=1S/C8H15NO2/c1-2-11-5-8(10)6-3-7(9)4-6/h6-7H,2-5,9H2,1H3
InChIKeySADLBSYLOJAIDQ-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.33
Rot. Bonds4

About 1-(3-aminocyclobutyl)-2-ethoxyethanone

1-(3-aminocyclobutyl)-2-ethoxyethanone (PubChem CID 165469777) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(3-aminocyclobutyl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(3-aminocyclobutyl)-2-ethoxyethanone
PubChem CID165469777
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(3-aminocyclobutyl)-2-ethoxyethanone
SMILESCCOCC(=O)C1CC(N)C1
InChIInChI=1S/C8H15NO2/c1-2-11-5-8(10)6-3-7(9)4-6/h6-7H,2-5,9H2,1H3
InChIKeySADLBSYLOJAIDQ-UHFFFAOYSA-N
XLogP0.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclobutyl)-2-ethoxyethanone?
The IUPAC name of 1-(3-aminocyclobutyl)-2-ethoxyethanone (CID 165469777) is 1-(3-aminocyclobutyl)-2-ethoxyethanone.
What is the SMILES notation for 1-(3-aminocyclobutyl)-2-ethoxyethanone?
The canonical SMILES for 1-(3-aminocyclobutyl)-2-ethoxyethanone is CCOCC(=O)C1CC(N)C1.
What is the InChIKey of 1-(3-aminocyclobutyl)-2-ethoxyethanone?
The InChIKey is SADLBSYLOJAIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-11-5-8(10)6-3-7(9)4-6/h6-7H,2-5,9H2,1H3.
What are the key properties of 1-(3-aminocyclobutyl)-2-ethoxyethanone?
1-(3-aminocyclobutyl)-2-ethoxyethanone has a molecular weight of 157.21 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclobutyl)-2-ethoxyethanone is sourced from PubChem (CID 165469777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).