2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate

C11H19NO4 — CID 73094768

IUPAC2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)C1CNC(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(14)8-5-7(6-12-8)9(13)15-4/h7-8,12H,5-6H2,1-4H3
InChIKeyBYOGSESHAVSIKV-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.48
Rot. Bonds2

About 2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate

2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate (PubChem CID 73094768) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate.

Molecular Properties

Compound Name2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate
PubChem CID73094768
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)C1CNC(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(14)8-5-7(6-12-8)9(13)15-4/h7-8,12H,5-6H2,1-4H3
InChIKeyBYOGSESHAVSIKV-UHFFFAOYSA-N
XLogP0.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate
CID 15283651
tert-butyl 4-(sulfanylcarbamoyl)pyrrolidine-2-carboxylate
CID 141022462
5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 67042420
tert-butyl (2S)-4-methoxypyrrolidine-2-carboxylate
CID 54187646
tert-butyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 171397238
tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 164886554
tert-butyl 4-cyanopyrrolidine-2-carboxylate
CID 131739554
methyl (3S,5R,6R)-5,6-dimethylpiperidine-3-carboxylate;hydrochloride
CID 155943979
methyl 4-[hydroxy(methyl)carbamoyl]pyrrolidine-2-carboxylate
CID 123693548
methyl (2S)-aziridine-2-carboxylate
CID 10329257
3-O-tert-butyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
CID 141137562
tert-butyl 5-fluoropiperidine-2-carboxylate
CID 57018078

Frequently Asked Questions

What is the IUPAC name of 2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate?
The IUPAC name of 2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate (CID 73094768) is 2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate.
What is the SMILES notation for 2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate?
The canonical SMILES for 2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate is COC(=O)C1CNC(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate?
The InChIKey is BYOGSESHAVSIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)8-5-7(6-12-8)9(13)15-4/h7-8,12H,5-6H2,1-4H3.
What are the key properties of 2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate?
2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate has a molecular weight of 229.28 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate is sourced from PubChem (CID 73094768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).