diethyl (3R,4R)-pyrrolidine-3,4-dicarboxylate

C10H17NO4 — CID 13172076

IUPACdiethyl (3R,4R)-pyrrolidine-3,4-dicarboxylate
SMILESCCOC(=O)[C@H]1CNC[C@@H]1C(=O)OCC
InChIInChI=1S/C10H17NO4/c1-3-14-9(12)7-5-11-6-8(7)10(13)15-4-2/h7-8,11H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyTZVXAGZGBHPRMV-YUMQZZPRSA-N
MW215.25 g/mol
LogP-0.05
Rot. Bonds4

About diethyl (3R,4R)-pyrrolidine-3,4-dicarboxylate

diethyl (3R,4R)-pyrrolidine-3,4-dicarboxylate (PubChem CID 13172076) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is diethyl (3R,4R)-pyrrolidine-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl (3R,4R)-pyrrolidine-3,4-dicarboxylate
PubChem CID13172076
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namediethyl (3R,4R)-pyrrolidine-3,4-dicarboxylate
SMILESCCOC(=O)[C@H]1CNC[C@@H]1C(=O)OCC
InChIInChI=1S/C10H17NO4/c1-3-14-9(12)7-5-11-6-8(7)10(13)15-4-2/h7-8,11H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyTZVXAGZGBHPRMV-YUMQZZPRSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl pyrrolidine-3-carboxylate hydrochloride
CID 12896003
rac-methyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 1512689
Methyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 1512690
Methyl 4-methylpyrrolidin-3-carboxylate
CID 5081515
3-Pyrrolidinecarboxylic acid, 4-methyl-5-oxo-, ethyl ester
CID 12292463
Ethyl pyrrolidine-3-carboxylate
CID 12896002
ethyl (3R)-pyrrolidine-3-carboxylate hydrochloride
CID 53488453
Ethyl 2-oxa-6-azaspiro[3.4]octane-8-carboxylate
CID 119057035
trans-diethyl tetrahydro-1H-pyrrole-3,4-dicarboxylate
CID 49757509
Ethyl (3R,4R)-4-(trifluoromethyl)tetrahydro-1H-pyrrole-3-carboxylate
CID 49757527
trans-Dimethyl pyrrolidine-3,4-dicarboxylate
CID 13539142
Ethyl 3-methylpyrrolidine-3-carboxylate hydrochloride
CID 71756654

Frequently Asked Questions

What is the IUPAC name of diethyl (3R,4R)-pyrrolidine-3,4-dicarboxylate?
The IUPAC name of diethyl (3R,4R)-pyrrolidine-3,4-dicarboxylate (CID 13172076) is diethyl (3R,4R)-pyrrolidine-3,4-dicarboxylate.
What is the SMILES notation for diethyl (3R,4R)-pyrrolidine-3,4-dicarboxylate?
The canonical SMILES for diethyl (3R,4R)-pyrrolidine-3,4-dicarboxylate is CCOC(=O)[C@H]1CNC[C@@H]1C(=O)OCC.
What is the InChIKey of diethyl (3R,4R)-pyrrolidine-3,4-dicarboxylate?
The InChIKey is TZVXAGZGBHPRMV-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-14-9(12)7-5-11-6-8(7)10(13)15-4-2/h7-8,11H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of diethyl (3R,4R)-pyrrolidine-3,4-dicarboxylate?
diethyl (3R,4R)-pyrrolidine-3,4-dicarboxylate has a molecular weight of 215.25 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (3R,4R)-pyrrolidine-3,4-dicarboxylate is sourced from PubChem (CID 13172076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).