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

C12H21NO5 — CID 86743786

IUPACdiethyl (2R,3R)-3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)[C@H]1[C@@H](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/t9-,10-/m1/s1
InChIKeyKVNCZZJKTVYNPJ-NXEZZACHSA-N
MW259.30 g/mol
LogP0.78
Rot. Bonds5

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

diethyl (2R,3R)-3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate (PubChem CID 86743786) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is diethyl (2R,3R)-3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl (2R,3R)-3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
PubChem CID86743786
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Namediethyl (2R,3R)-3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)[C@H]1[C@@H](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/t9-,10-/m1/s1
InChIKeyKVNCZZJKTVYNPJ-NXEZZACHSA-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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Related Compounds

diethyl (2R,3R)-3-(diethoxyphosphorylmethyl)pyrrolidine-1,2-dicarboxylate
CID 131716302
1-ethoxycarbonyl-3-hydroxypyrrolidine-2-carboxylic acid
CID 131424901
ethyl (2S,4S)-1-acetyl-4-(2-hydroxyethyl)piperidine-2-carboxylate
CID 54403674
1-O-tert-butyl 2-O-ethyl (2S,3S)-3-hydroxypiperidine-1,2-dicarboxylate
CID 11184884
1-O-tert-butyl 2-O-ethyl (2S,3R)-3-cyclopropylpyrrolidine-1,2-dicarboxylate
CID 11748041
1-O-tert-butyl 2-O-ethyl (2S,3R)-3-aminopiperidine-1,2-dicarboxylate
CID 163323409
ethyl 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylate
CID 123790231
diethyl 3-oxopyrrolidine-1,2-dicarboxylate
CID 15618374
ditert-butyl (2S,3R)-3-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
CID 15342156
(2S)-3-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 166842542
ethyl (2R,4S)-2,4-diethoxypiperidine-1-carboxylate
CID 131871757
(2S,3S)-3-(2-ethoxy-2-oxoethyl)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 71479659

Frequently Asked Questions

What is the IUPAC name of diethyl (2R,3R)-3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate?
The IUPAC name of diethyl (2R,3R)-3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate (CID 86743786) is diethyl (2R,3R)-3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for diethyl (2R,3R)-3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for diethyl (2R,3R)-3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate is CCOC(=O)[C@H]1[C@@H](CCO)CCN1C(=O)OCC.
What is the InChIKey of diethyl (2R,3R)-3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate?
The InChIKey is KVNCZZJKTVYNPJ-NXEZZACHSA-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/t9-,10-/m1/s1.
What are the key properties of diethyl (2R,3R)-3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate?
diethyl (2R,3R)-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 (2R,3R)-3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 86743786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).