tert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate

C13H23N5O3 — CID 107044470

IUPACtert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate
SMILESCn1nnc(COC2(C)CCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C13H23N5O3/c1-12(2,3)21-11(19)18-7-6-13(4,9-18)20-8-10-14-16-17(5)15-10/h6-9H2,1-5H3
InChIKeyYENSEPOJRPSGNF-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.13
Rot. Bonds3

About tert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate

tert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate (PubChem CID 107044470) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is tert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate
PubChem CID107044470
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Nametert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate
SMILESCn1nnc(COC2(C)CCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C13H23N5O3/c1-12(2,3)21-11(19)18-7-6-13(4,9-18)20-8-10-14-16-17(5)15-10/h6-9H2,1-5H3
InChIKeyYENSEPOJRPSGNF-UHFFFAOYSA-N
XLogP1.13
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 3-methyl-3-[(1-methylpyrazol-4-yl)methoxy]pyrrolidine-1-carboxylate
CID 83206642
tert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate
CID 83207230
tert-butyl 3-methyl-3-(1,2-oxazol-5-ylmethoxy)pyrrolidine-1-carboxylate
CID 83207577
tert-butyl 3-methyl-3-prop-2-ynoxypyrrolidine-1-carboxylate
CID 83206134
tert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate
CID 83207669
tert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
CID 83207478
tert-butyl 3-[(1-ethylimidazol-2-yl)methoxy]-3-methylpyrrolidine-1-carboxylate
CID 106938825
tert-butyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-1-carboxylate
CID 106940659
tert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
CID 103916206
tert-butyl 3-(3-hydroxybutoxy)-3-methylpyrrolidine-1-carboxylate
CID 106938832
tert-butyl 3-decoxy-3-methylpyrrolidine-1-carboxylate
CID 113351248
tert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
CID 103916187

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate (CID 107044470) is tert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate is Cn1nnc(COC2(C)CCN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate?
The InChIKey is YENSEPOJRPSGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-12(2,3)21-11(19)18-7-6-13(4,9-18)20-8-10-14-16-17(5)15-10/h6-9H2,1-5H3.
What are the key properties of tert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate?
tert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 107044470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).