bis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate

C12H17NO5 — CID 139678210

IUPACbis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
SMILESC=CCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC=C
InChIInChI=1S/C12H17NO5/c1-3-5-17-11(15)10-7-9(14)8-13(10)12(16)18-6-4-2/h3-4,9-10,14H,1-2,5-8H2/t9-,10+/m1/s1
InChIKeyRUOWBZUVHSNHFQ-ZJUUUORDSA-N
MW255.27 g/mol
LogP0.47
Rot. Bonds5

About bis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate

bis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate (PubChem CID 139678210) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is bis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
PubChem CID139678210
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Namebis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
SMILESC=CCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC=C
InChIInChI=1S/C12H17NO5/c1-3-5-17-11(15)10-7-9(14)8-13(10)12(16)18-6-4-2/h3-4,9-10,14H,1-2,5-8H2/t9-,10+/m1/s1
InChIKeyRUOWBZUVHSNHFQ-ZJUUUORDSA-N
XLogP0.47
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate?
The IUPAC name of bis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate (CID 139678210) is bis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for bis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate?
The canonical SMILES for bis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate is C=CCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate?
The InChIKey is RUOWBZUVHSNHFQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H17NO5/c1-3-5-17-11(15)10-7-9(14)8-13(10)12(16)18-6-4-2/h3-4,9-10,14H,1-2,5-8H2/t9-,10+/m1/s1.
What are the key properties of bis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate?
bis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate has a molecular weight of 255.27 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 139678210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).