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

C10H15NO5 — CID 10633157

IUPAC2-O-methyl 1-O-prop-2-enyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
SMILESC=CCOC(=O)N1C[C@H](O)C[C@H]1C(=O)OC
InChIInChI=1S/C10H15NO5/c1-3-4-16-10(14)11-6-7(12)5-8(11)9(13)15-2/h3,7-8,12H,1,4-6H2,2H3/t7-,8+/m1/s1
InChIKeyRPUWJACGBJIUPQ-SFYZADRCSA-N
MW229.23 g/mol
LogP-0.08
Rot. Bonds3

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

2-O-methyl 1-O-prop-2-enyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate (PubChem CID 10633157) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-O-methyl 1-O-prop-2-enyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-methyl 1-O-prop-2-enyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
PubChem CID10633157
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2-O-methyl 1-O-prop-2-enyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
SMILESC=CCOC(=O)N1C[C@H](O)C[C@H]1C(=O)OC
InChIInChI=1S/C10H15NO5/c1-3-4-16-10(14)11-6-7(12)5-8(11)9(13)15-2/h3,7-8,12H,1,4-6H2,2H3/t7-,8+/m1/s1
InChIKeyRPUWJACGBJIUPQ-SFYZADRCSA-N
XLogP-0.08
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.08
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 2-O-methyl 1-O-prop-2-enyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate?
The IUPAC name of 2-O-methyl 1-O-prop-2-enyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate (CID 10633157) is 2-O-methyl 1-O-prop-2-enyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 2-O-methyl 1-O-prop-2-enyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 2-O-methyl 1-O-prop-2-enyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate is C=CCOC(=O)N1C[C@H](O)C[C@H]1C(=O)OC.
What is the InChIKey of 2-O-methyl 1-O-prop-2-enyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate?
The InChIKey is RPUWJACGBJIUPQ-SFYZADRCSA-N. The full InChI is InChI=1S/C10H15NO5/c1-3-4-16-10(14)11-6-7(12)5-8(11)9(13)15-2/h3,7-8,12H,1,4-6H2,2H3/t7-,8+/m1/s1.
What are the key properties of 2-O-methyl 1-O-prop-2-enyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate?
2-O-methyl 1-O-prop-2-enyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate has a molecular weight of 229.23 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-methyl 1-O-prop-2-enyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 10633157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).