2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate

C12H21NO4 — CID 66902636

IUPAC2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-5-16-11(15)13-8-6-7-9(13)10(14)17-12(2,3)4/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyRWEHYMOPVYJKTE-SECBINFHSA-N
MW243.30 g/mol
LogP1.95
Rot. Bonds2

About 2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate

2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate (PubChem CID 66902636) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
PubChem CID66902636
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-5-16-11(15)13-8-6-7-9(13)10(14)17-12(2,3)4/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyRWEHYMOPVYJKTE-SECBINFHSA-N
XLogP1.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-O-tert-butyl 1-O-(2-methylpropyl) (2R)-pyrrolidine-1,2-dicarboxylate
CID 115536127
tert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride
CID 76532364
tert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride
CID 57383535
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 13299703
1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate
CID 86335614
1-O-tert-butyl 2-O-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl] pyrrolidine-1,2-dicarboxylate
CID 14237873
CID 155769942
CID 155769942
(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 1263680
tert-butyl (2S)-1-[(E)-4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-4-oxobut-2-enoyl]pyrrolidine-2-carboxylate
CID 10835999
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
1-O-benzyl 2-O-tert-butyl piperidine-1,2-dicarboxylate
CID 3340153
tert-butyl (2S)-1-butanoylpiperidine-2-carboxylate
CID 139635911

Frequently Asked Questions

What is the IUPAC name of 2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate?
The IUPAC name of 2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate (CID 66902636) is 2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for 2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate?
The canonical SMILES for 2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate is CCOC(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C.
What is the InChIKey of 2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate?
The InChIKey is RWEHYMOPVYJKTE-SECBINFHSA-N. The full InChI is InChI=1S/C12H21NO4/c1-5-16-11(15)13-8-6-7-9(13)10(14)17-12(2,3)4/h9H,5-8H2,1-4H3/t9-/m1/s1.
What are the key properties of 2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate?
2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate has a molecular weight of 243.30 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 66902636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).