3-(2-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione

C11H18N2O2 — CID 103549504

IUPAC3-(2-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESCCC(N)CN1C(=O)C2CCC(C2)C1=O
InChIInChI=1S/C11H18N2O2/c1-2-9(12)6-13-10(14)7-3-4-8(5-7)11(13)15/h7-9H,2-6,12H2,1H3
InChIKeyUTAPRBAFCOWIGK-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.51
Rot. Bonds3

About 3-(2-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione

3-(2-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione (PubChem CID 103549504) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(2-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione.

Molecular Properties

Compound Name3-(2-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione
PubChem CID103549504
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(2-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESCCC(N)CN1C(=O)C2CCC(C2)C1=O
InChIInChI=1S/C11H18N2O2/c1-2-9(12)6-13-10(14)7-3-4-8(5-7)11(13)15/h7-9H,2-6,12H2,1H3
InChIKeyUTAPRBAFCOWIGK-UHFFFAOYSA-N
XLogP0.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)-2-methoxypropanoic acid
CID 106108314
3-(2,3-dihydroxypropyl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103552325
2-[(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)methyl]pentanoic acid
CID 103551504
3-(3-aminopropyl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103549474
3-(4-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103551378
3-[3-(ethylamino)propyl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103549466
3-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)pentanenitrile
CID 103551858
1-(2-aminobutyl)-3,4,5-trimethylpyrrolidin-2-one
CID 131097871
3-but-3-ynyl-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103552413
2-[(2R)-2-aminopropyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 104931620
3-[(2S)-1-hydroxypropan-2-yl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103552317
3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 63762501

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The IUPAC name of 3-(2-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione (CID 103549504) is 3-(2-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione.
What is the SMILES notation for 3-(2-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The canonical SMILES for 3-(2-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione is CCC(N)CN1C(=O)C2CCC(C2)C1=O.
What is the InChIKey of 3-(2-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The InChIKey is UTAPRBAFCOWIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-9(12)6-13-10(14)7-3-4-8(5-7)11(13)15/h7-9H,2-6,12H2,1H3.
What are the key properties of 3-(2-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione?
3-(2-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione has a molecular weight of 210.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione is sourced from PubChem (CID 103549504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).