4-[2-hydroxy-3-(2-hydroxy-4-methyl-5-methylideneoxolan-2-yl)-3-methoxypropyl]piperidine-2,6-dione

C15H23NO6 — CID 162810192

IUPAC4-[2-hydroxy-3-(2-hydroxy-4-methyl-5-methylideneoxolan-2-yl)-3-methoxypropyl]piperidine-2,6-dione
SMILESC=C1OC(O)(C(OC)C(O)CC2CC(=O)NC(=O)C2)CC1C
InChIInChI=1S/C15H23NO6/c1-8-7-15(20,22-9(8)2)14(21-3)11(17)4-10-5-12(18)16-13(19)6-10/h8,10-11,14,17,20H,2,4-7H2,1,3H3,(H,16,18,19)
InChIKeyTUZYQLKSYZCKIA-UHFFFAOYSA-N
MW313.35 g/mol
LogP0.06
Rot. Bonds5

About 4-[2-hydroxy-3-(2-hydroxy-4-methyl-5-methylideneoxolan-2-yl)-3-methoxypropyl]piperidine-2,6-dione

4-[2-hydroxy-3-(2-hydroxy-4-methyl-5-methylideneoxolan-2-yl)-3-methoxypropyl]piperidine-2,6-dione (PubChem CID 162810192) has the molecular formula C15H23NO6 and a molecular weight of 313.35 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(2-hydroxy-4-methyl-5-methylideneoxolan-2-yl)-3-methoxypropyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-[2-hydroxy-3-(2-hydroxy-4-methyl-5-methylideneoxolan-2-yl)-3-methoxypropyl]piperidine-2,6-dione
PubChem CID162810192
Molecular FormulaC15H23NO6
Molecular Weight313.35 g/mol
Exact Mass313.15
IUPAC Name4-[2-hydroxy-3-(2-hydroxy-4-methyl-5-methylideneoxolan-2-yl)-3-methoxypropyl]piperidine-2,6-dione
SMILESC=C1OC(O)(C(OC)C(O)CC2CC(=O)NC(=O)C2)CC1C
InChIInChI=1S/C15H23NO6/c1-8-7-15(20,22-9(8)2)14(21-3)11(17)4-10-5-12(18)16-13(19)6-10/h8,10-11,14,17,20H,2,4-7H2,1,3H3,(H,16,18,19)
InChIKeyTUZYQLKSYZCKIA-UHFFFAOYSA-N
XLogP0.06
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(2-hydroxy-4-methyl-5-methylideneoxolan-2-yl)-3-methoxypropyl]piperidine-2,6-dione?
The IUPAC name of 4-[2-hydroxy-3-(2-hydroxy-4-methyl-5-methylideneoxolan-2-yl)-3-methoxypropyl]piperidine-2,6-dione (CID 162810192) is 4-[2-hydroxy-3-(2-hydroxy-4-methyl-5-methylideneoxolan-2-yl)-3-methoxypropyl]piperidine-2,6-dione.
What is the SMILES notation for 4-[2-hydroxy-3-(2-hydroxy-4-methyl-5-methylideneoxolan-2-yl)-3-methoxypropyl]piperidine-2,6-dione?
The canonical SMILES for 4-[2-hydroxy-3-(2-hydroxy-4-methyl-5-methylideneoxolan-2-yl)-3-methoxypropyl]piperidine-2,6-dione is C=C1OC(O)(C(OC)C(O)CC2CC(=O)NC(=O)C2)CC1C.
What is the InChIKey of 4-[2-hydroxy-3-(2-hydroxy-4-methyl-5-methylideneoxolan-2-yl)-3-methoxypropyl]piperidine-2,6-dione?
The InChIKey is TUZYQLKSYZCKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO6/c1-8-7-15(20,22-9(8)2)14(21-3)11(17)4-10-5-12(18)16-13(19)6-10/h8,10-11,14,17,20H,2,4-7H2,1,3H3,(H,16,18,19).
What are the key properties of 4-[2-hydroxy-3-(2-hydroxy-4-methyl-5-methylideneoxolan-2-yl)-3-methoxypropyl]piperidine-2,6-dione?
4-[2-hydroxy-3-(2-hydroxy-4-methyl-5-methylideneoxolan-2-yl)-3-methoxypropyl]piperidine-2,6-dione has a molecular weight of 313.35 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(2-hydroxy-4-methyl-5-methylideneoxolan-2-yl)-3-methoxypropyl]piperidine-2,6-dione is sourced from PubChem (CID 162810192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).