diethyl (2S,5R)-pyrrolidine-2,5-dicarboxylate;hydrochloride

C10H18ClNO4 — CID 91754625

IUPACdiethyl (2S,5R)-pyrrolidine-2,5-dicarboxylate;hydrochloride
SMILESCCOC(=O)[C@@H]1CC[C@H](C(=O)OCC)N1.Cl
InChIInChI=1S/C10H17NO4.ClH/c1-3-14-9(12)7-5-6-8(11-7)10(13)15-4-2;/h7-8,11H,3-6H2,1-2H3;1H/t7-,8+;
InChIKeyIAUFBLCQRNNJLX-KVZVIFLMSA-N
MW251.71 g/mol
LogP0.65
Rot. Bonds4

About diethyl (2S,5R)-pyrrolidine-2,5-dicarboxylate;hydrochloride

diethyl (2S,5R)-pyrrolidine-2,5-dicarboxylate;hydrochloride (PubChem CID 91754625) has the molecular formula C10H18ClNO4 and a molecular weight of 251.71 g/mol. Its IUPAC name is diethyl (2S,5R)-pyrrolidine-2,5-dicarboxylate;hydrochloride.

Molecular Properties

Compound Namediethyl (2S,5R)-pyrrolidine-2,5-dicarboxylate;hydrochloride
PubChem CID91754625
Molecular FormulaC10H18ClNO4
Molecular Weight251.71 g/mol
Exact Mass251.09
IUPAC Namediethyl (2S,5R)-pyrrolidine-2,5-dicarboxylate;hydrochloride
SMILESCCOC(=O)[C@@H]1CC[C@H](C(=O)OCC)N1.Cl
InChIInChI=1S/C10H17NO4.ClH/c1-3-14-9(12)7-5-6-8(11-7)10(13)15-4-2;/h7-8,11H,3-6H2,1-2H3;1H/t7-,8+;
InChIKeyIAUFBLCQRNNJLX-KVZVIFLMSA-N
XLogP0.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl (2S,5R)-pyrrolidine-2,5-dicarboxylate;hydrochloride?
The IUPAC name of diethyl (2S,5R)-pyrrolidine-2,5-dicarboxylate;hydrochloride (CID 91754625) is diethyl (2S,5R)-pyrrolidine-2,5-dicarboxylate;hydrochloride.
What is the SMILES notation for diethyl (2S,5R)-pyrrolidine-2,5-dicarboxylate;hydrochloride?
The canonical SMILES for diethyl (2S,5R)-pyrrolidine-2,5-dicarboxylate;hydrochloride is CCOC(=O)[C@@H]1CC[C@H](C(=O)OCC)N1.Cl.
What is the InChIKey of diethyl (2S,5R)-pyrrolidine-2,5-dicarboxylate;hydrochloride?
The InChIKey is IAUFBLCQRNNJLX-KVZVIFLMSA-N. The full InChI is InChI=1S/C10H17NO4.ClH/c1-3-14-9(12)7-5-6-8(11-7)10(13)15-4-2;/h7-8,11H,3-6H2,1-2H3;1H/t7-,8+;.
What are the key properties of diethyl (2S,5R)-pyrrolidine-2,5-dicarboxylate;hydrochloride?
diethyl (2S,5R)-pyrrolidine-2,5-dicarboxylate;hydrochloride has a molecular weight of 251.71 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2S,5R)-pyrrolidine-2,5-dicarboxylate;hydrochloride is sourced from PubChem (CID 91754625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).