propyl (2R,3S)-3-(morpholine-4-carbonyl)-5-oxooxolane-2-carboxylate

C13H19NO6 — CID 46831566

IUPACpropyl (2R,3S)-3-(morpholine-4-carbonyl)-5-oxooxolane-2-carboxylate
SMILESCCCOC(=O)[C@@H]1OC(=O)C[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C13H19NO6/c1-2-5-19-13(17)11-9(8-10(15)20-11)12(16)14-3-6-18-7-4-14/h9,11H,2-8H2,1H3/t9-,11+/m0/s1
InChIKeyMWQVFWQVGOLBCP-GXSJLCMTSA-N
MW285.30 g/mol
LogP-0.27
Rot. Bonds4

About propyl (2R,3S)-3-(morpholine-4-carbonyl)-5-oxooxolane-2-carboxylate

propyl (2R,3S)-3-(morpholine-4-carbonyl)-5-oxooxolane-2-carboxylate (PubChem CID 46831566) has the molecular formula C13H19NO6 and a molecular weight of 285.30 g/mol. Its IUPAC name is propyl (2R,3S)-3-(morpholine-4-carbonyl)-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Namepropyl (2R,3S)-3-(morpholine-4-carbonyl)-5-oxooxolane-2-carboxylate
PubChem CID46831566
Molecular FormulaC13H19NO6
Molecular Weight285.30 g/mol
Exact Mass285.12
IUPAC Namepropyl (2R,3S)-3-(morpholine-4-carbonyl)-5-oxooxolane-2-carboxylate
SMILESCCCOC(=O)[C@@H]1OC(=O)C[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C13H19NO6/c1-2-5-19-13(17)11-9(8-10(15)20-11)12(16)14-3-6-18-7-4-14/h9,11H,2-8H2,1H3/t9-,11+/m0/s1
InChIKeyMWQVFWQVGOLBCP-GXSJLCMTSA-N
XLogP-0.27
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propyl (2R,3S)-3-(morpholine-4-carbonyl)-5-oxooxolane-2-carboxylate?
The IUPAC name of propyl (2R,3S)-3-(morpholine-4-carbonyl)-5-oxooxolane-2-carboxylate (CID 46831566) is propyl (2R,3S)-3-(morpholine-4-carbonyl)-5-oxooxolane-2-carboxylate.
What is the SMILES notation for propyl (2R,3S)-3-(morpholine-4-carbonyl)-5-oxooxolane-2-carboxylate?
The canonical SMILES for propyl (2R,3S)-3-(morpholine-4-carbonyl)-5-oxooxolane-2-carboxylate is CCCOC(=O)[C@@H]1OC(=O)C[C@@H]1C(=O)N1CCOCC1.
What is the InChIKey of propyl (2R,3S)-3-(morpholine-4-carbonyl)-5-oxooxolane-2-carboxylate?
The InChIKey is MWQVFWQVGOLBCP-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H19NO6/c1-2-5-19-13(17)11-9(8-10(15)20-11)12(16)14-3-6-18-7-4-14/h9,11H,2-8H2,1H3/t9-,11+/m0/s1.
What are the key properties of propyl (2R,3S)-3-(morpholine-4-carbonyl)-5-oxooxolane-2-carboxylate?
propyl (2R,3S)-3-(morpholine-4-carbonyl)-5-oxooxolane-2-carboxylate has a molecular weight of 285.30 g/mol, XLogP of -0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2R,3S)-3-(morpholine-4-carbonyl)-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 46831566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).