tert-butyl 3-(methoxymethyl)pyrrolidine-3-carboxylate

C11H21NO3 — CID 130571831

IUPACtert-butyl 3-(methoxymethyl)pyrrolidine-3-carboxylate
SMILESCOCC1(C(=O)OC(C)(C)C)CCNC1
InChIInChI=1S/C11H21NO3/c1-10(2,3)15-9(13)11(8-14-4)5-6-12-7-11/h12H,5-8H2,1-4H3
InChIKeyPAQDGKKPXSZBDU-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.95
Rot. Bonds3

About tert-butyl 3-(methoxymethyl)pyrrolidine-3-carboxylate

tert-butyl 3-(methoxymethyl)pyrrolidine-3-carboxylate (PubChem CID 130571831) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl 3-(methoxymethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(methoxymethyl)pyrrolidine-3-carboxylate
PubChem CID130571831
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl 3-(methoxymethyl)pyrrolidine-3-carboxylate
SMILESCOCC1(C(=O)OC(C)(C)C)CCNC1
InChIInChI=1S/C11H21NO3/c1-10(2,3)15-9(13)11(8-14-4)5-6-12-7-11/h12H,5-8H2,1-4H3
InChIKeyPAQDGKKPXSZBDU-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-methyl-2-oxopyrrolidine-3-carboxylate
CID 12677530
tert-Butyl pyrrolidine-3-carboxylate
CID 22394392
Methyl 3-(methoxymethyl)pyrrolidine-3-carboxylate
CID 59511362
Tert-butyl 3-methylpyrrolidine-3-carboxylate
CID 63144761
Tert-butyl 3-fluoropyrrolidine-3-carboxylate
CID 67294016
Tert-butyl pyrrolidine-3-carboxylate hydrochloride
CID 86346376
tert-butyl (3S)-pyrrolidine-3-carboxylate hydrochloride
CID 122358704
tert-butyl (3R)-pyrrolidine-3-carboxylate hydrochloride
CID 163293402
Ethyl 3-methylpyrrolidine-3-carboxylate hydrochloride
CID 71756654
rac-tert-butyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 105580950
3-(Methoxymethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 122163578
rac-tert-butyl (3aR,6aR)-hexahydro-1H-furo(3,4-c)pyrrole-3a-carboxylate
CID 124603951

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(methoxymethyl)pyrrolidine-3-carboxylate?
The IUPAC name of tert-butyl 3-(methoxymethyl)pyrrolidine-3-carboxylate (CID 130571831) is tert-butyl 3-(methoxymethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 3-(methoxymethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for tert-butyl 3-(methoxymethyl)pyrrolidine-3-carboxylate is COCC1(C(=O)OC(C)(C)C)CCNC1.
What is the InChIKey of tert-butyl 3-(methoxymethyl)pyrrolidine-3-carboxylate?
The InChIKey is PAQDGKKPXSZBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,3)15-9(13)11(8-14-4)5-6-12-7-11/h12H,5-8H2,1-4H3.
What are the key properties of tert-butyl 3-(methoxymethyl)pyrrolidine-3-carboxylate?
tert-butyl 3-(methoxymethyl)pyrrolidine-3-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(methoxymethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 130571831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).