diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate

C10H17NO4 — CID 99768949

IUPACdiethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate
SMILESCCOC(=O)[C@H]1CCN[C@@H]1C(=O)OCC
InChIInChI=1S/C10H17NO4/c1-3-14-9(12)7-5-6-11-8(7)10(13)15-4-2/h7-8,11H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyNDWBFNBZOVTJKK-YUMQZZPRSA-N
MW215.25 g/mol
LogP0.09
Rot. Bonds4

About diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate

diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate (PubChem CID 99768949) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate
PubChem CID99768949
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namediethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate
SMILESCCOC(=O)[C@H]1CCN[C@@H]1C(=O)OCC
InChIInChI=1S/C10H17NO4/c1-3-14-9(12)7-5-6-11-8(7)10(13)15-4-2/h7-8,11H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyNDWBFNBZOVTJKK-YUMQZZPRSA-N
XLogP0.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S,3S)-2-methylpyrrolidine-3-carboxylate
CID 155921196
ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate
CID 45115923
ethyl 3-prop-1-en-2-ylpiperidine-2-carboxylate
CID 14334512
ethyl 3-ethylpiperidine-2-carboxylate
CID 144594238
ethyl (3aS,4R,6aR)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carboxylate
CID 170446159
ethyl (2S,3R)-2-phenylpyrrolidine-3-carboxylate
CID 96575888
diethyl (4R,4aR,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4,6-dicarboxylate
CID 125492924
ethyl (3S,4R)-3-methylpiperidine-4-carboxylate
CID 27282207
ethyl (3S,4S)-3-methylpiperidine-4-carboxylate
CID 27282210
diethyl 5-oxopyrrolidine-2,3-dicarboxylate
CID 45272996
ethyl (2R,3S)-2-methylmorpholine-3-carboxylate
CID 90001541
ethyl (2S)-3-(4-hydroxyphenyl)pyrrolidine-2-carboxylate;hydrobromide
CID 69351683

Frequently Asked Questions

What is the IUPAC name of diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate?
The IUPAC name of diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate (CID 99768949) is diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate.
What is the SMILES notation for diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate?
The canonical SMILES for diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate is CCOC(=O)[C@H]1CCN[C@@H]1C(=O)OCC.
What is the InChIKey of diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate?
The InChIKey is NDWBFNBZOVTJKK-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-14-9(12)7-5-6-11-8(7)10(13)15-4-2/h7-8,11H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate?
diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate has a molecular weight of 215.25 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate is sourced from PubChem (CID 99768949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).