(2-hydroxy-3-prop-2-enoxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate

C11H17NO5 — CID 22838344

IUPAC(2-hydroxy-3-prop-2-enoxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate
SMILESC=CCOCC(O)COC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C11H17NO5/c1-2-5-16-6-8(13)7-17-11(15)9-3-4-10(14)12-9/h2,8-9,13H,1,3-7H2,(H,12,14)/t8?,9-/m0/s1
InChIKeyXBJSLLJEZOAZMO-GKAPJAKFSA-N
MW243.26 g/mol
LogP-0.63
Rot. Bonds7

About (2-hydroxy-3-prop-2-enoxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate

(2-hydroxy-3-prop-2-enoxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate (PubChem CID 22838344) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2-hydroxy-3-prop-2-enoxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2-hydroxy-3-prop-2-enoxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate
PubChem CID22838344
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name(2-hydroxy-3-prop-2-enoxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate
SMILESC=CCOCC(O)COC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C11H17NO5/c1-2-5-16-6-8(13)7-17-11(15)9-3-4-10(14)12-9/h2,8-9,13H,1,3-7H2,(H,12,14)/t8?,9-/m0/s1
InChIKeyXBJSLLJEZOAZMO-GKAPJAKFSA-N
XLogP-0.63
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-prop-2-enoxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of (2-hydroxy-3-prop-2-enoxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate (CID 22838344) is (2-hydroxy-3-prop-2-enoxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for (2-hydroxy-3-prop-2-enoxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for (2-hydroxy-3-prop-2-enoxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate is C=CCOCC(O)COC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2-hydroxy-3-prop-2-enoxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is XBJSLLJEZOAZMO-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H17NO5/c1-2-5-16-6-8(13)7-17-11(15)9-3-4-10(14)12-9/h2,8-9,13H,1,3-7H2,(H,12,14)/t8?,9-/m0/s1.
What are the key properties of (2-hydroxy-3-prop-2-enoxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate?
(2-hydroxy-3-prop-2-enoxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 243.26 g/mol, XLogP of -0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-prop-2-enoxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 22838344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).