1-O-ethyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate

C9H15NO4 — CID 11084871

IUPAC1-O-ethyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)N1CCC[C@H]1C(=O)OC
InChIInChI=1S/C9H15NO4/c1-3-14-9(12)10-6-4-5-7(10)8(11)13-2/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyYCWGTZNCRJOYQK-ZETCQYMHSA-N
MW201.22 g/mol
LogP0.78
Rot. Bonds2

About 1-O-ethyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate

1-O-ethyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate (PubChem CID 11084871) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-O-ethyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-ethyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate
PubChem CID11084871
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-O-ethyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)N1CCC[C@H]1C(=O)OC
InChIInChI=1S/C9H15NO4/c1-3-14-9(12)10-6-4-5-7(10)8(11)13-2/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyYCWGTZNCRJOYQK-ZETCQYMHSA-N
XLogP0.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 1-O-ethyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate (CID 11084871) is 1-O-ethyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-ethyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-ethyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate is CCOC(=O)N1CCC[C@H]1C(=O)OC.
What is the InChIKey of 1-O-ethyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate?
The InChIKey is YCWGTZNCRJOYQK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NO4/c1-3-14-9(12)10-6-4-5-7(10)8(11)13-2/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of 1-O-ethyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate?
1-O-ethyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate has a molecular weight of 201.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 11084871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).