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

C10H15NO4 — CID 103552325

IUPAC3-(2,3-dihydroxypropyl)-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESO=C1C2CCC(C2)C(=O)N1CC(O)CO
InChIInChI=1S/C10H15NO4/c12-5-8(13)4-11-9(14)6-1-2-7(3-6)10(11)15/h6-8,12-13H,1-5H2
InChIKeyIZWNKYOQQLTVAQ-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.88
Rot. Bonds3

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

3-(2,3-dihydroxypropyl)-3-azabicyclo[3.2.1]octane-2,4-dione (PubChem CID 103552325) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropyl)-3-azabicyclo[3.2.1]octane-2,4-dione.

Molecular Properties

Compound Name3-(2,3-dihydroxypropyl)-3-azabicyclo[3.2.1]octane-2,4-dione
PubChem CID103552325
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-(2,3-dihydroxypropyl)-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESO=C1C2CCC(C2)C(=O)N1CC(O)CO
InChIInChI=1S/C10H15NO4/c12-5-8(13)4-11-9(14)6-1-2-7(3-6)10(11)15/h6-8,12-13H,1-5H2
InChIKeyIZWNKYOQQLTVAQ-UHFFFAOYSA-N
XLogP-0.88
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103549504
3-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)-2-methoxypropanoic acid
CID 106108314
3-[(2S)-1-hydroxypropan-2-yl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103552317
2-[(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)methyl]pentanoic acid
CID 103551504
4-(2,3-dihydroxypropyl)morpholine-3,5-dione
CID 66176288
3-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 106353562
3-(2-cyclopentyl-2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104753293
3-[1-(hydroxymethyl)cyclopropyl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103552347
3-(3-aminopropyl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103549474
1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione
CID 139972938
3-but-3-ynyl-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103552413
3-(4-aminobutyl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103551378

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropyl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The IUPAC name of 3-(2,3-dihydroxypropyl)-3-azabicyclo[3.2.1]octane-2,4-dione (CID 103552325) is 3-(2,3-dihydroxypropyl)-3-azabicyclo[3.2.1]octane-2,4-dione.
What is the SMILES notation for 3-(2,3-dihydroxypropyl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The canonical SMILES for 3-(2,3-dihydroxypropyl)-3-azabicyclo[3.2.1]octane-2,4-dione is O=C1C2CCC(C2)C(=O)N1CC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropyl)-3-azabicyclo[3.2.1]octane-2,4-dione?
The InChIKey is IZWNKYOQQLTVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-5-8(13)4-11-9(14)6-1-2-7(3-6)10(11)15/h6-8,12-13H,1-5H2.
What are the key properties of 3-(2,3-dihydroxypropyl)-3-azabicyclo[3.2.1]octane-2,4-dione?
3-(2,3-dihydroxypropyl)-3-azabicyclo[3.2.1]octane-2,4-dione has a molecular weight of 213.23 g/mol, XLogP of -0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropyl)-3-azabicyclo[3.2.1]octane-2,4-dione is sourced from PubChem (CID 103552325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).