diethyl 3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate

C12H21NO5 — CID 19757818

IUPACdiethyl 3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)C1C(CCO)CCN1C(=O)OCC
InChIInChI=1S/C12H21NO5/c1-3-17-11(15)10-9(6-8-14)5-7-13(10)12(16)18-4-2/h9-10,14H,3-8H2,1-2H3
InChIKeyKVNCZZJKTVYNPJ-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.78
Rot. Bonds5

About diethyl 3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate

diethyl 3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate (PubChem CID 19757818) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is diethyl 3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
PubChem CID19757818
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Namediethyl 3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)C1C(CCO)CCN1C(=O)OCC
InChIInChI=1S/C12H21NO5/c1-3-17-11(15)10-9(6-8-14)5-7-13(10)12(16)18-4-2/h9-10,14H,3-8H2,1-2H3
InChIKeyKVNCZZJKTVYNPJ-UHFFFAOYSA-N
XLogP0.78
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate?
The IUPAC name of diethyl 3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate (CID 19757818) is diethyl 3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for diethyl 3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for diethyl 3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate is CCOC(=O)C1C(CCO)CCN1C(=O)OCC.
What is the InChIKey of diethyl 3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate?
The InChIKey is KVNCZZJKTVYNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-3-17-11(15)10-9(6-8-14)5-7-13(10)12(16)18-4-2/h9-10,14H,3-8H2,1-2H3.
What are the key properties of diethyl 3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate?
diethyl 3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate has a molecular weight of 259.30 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 19757818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).