tert-butyl N-[[1-(2-oxobutyl)tetrazol-5-yl]methyl]carbamate

C11H19N5O3 — CID 71853396

IUPACtert-butyl N-[[1-(2-oxobutyl)tetrazol-5-yl]methyl]carbamate
SMILESCCC(=O)Cn1nnnc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19N5O3/c1-5-8(17)7-16-9(13-14-15-16)6-12-10(18)19-11(2,3)4/h5-7H2,1-4H3,(H,12,18)
InChIKeyDVQQYYRDQJZZHV-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.68
Rot. Bonds5

About tert-butyl N-[[1-(2-oxobutyl)tetrazol-5-yl]methyl]carbamate

tert-butyl N-[[1-(2-oxobutyl)tetrazol-5-yl]methyl]carbamate (PubChem CID 71853396) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is tert-butyl N-[[1-(2-oxobutyl)tetrazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(2-oxobutyl)tetrazol-5-yl]methyl]carbamate
PubChem CID71853396
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Nametert-butyl N-[[1-(2-oxobutyl)tetrazol-5-yl]methyl]carbamate
SMILESCCC(=O)Cn1nnnc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19N5O3/c1-5-8(17)7-16-9(13-14-15-16)6-12-10(18)19-11(2,3)4/h5-7H2,1-4H3,(H,12,18)
InChIKeyDVQQYYRDQJZZHV-UHFFFAOYSA-N
XLogP0.68
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(2-oxobutyl)tetrazol-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(2-oxobutyl)tetrazol-5-yl]methyl]carbamate (CID 71853396) is tert-butyl N-[[1-(2-oxobutyl)tetrazol-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(2-oxobutyl)tetrazol-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(2-oxobutyl)tetrazol-5-yl]methyl]carbamate is CCC(=O)Cn1nnnc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[1-(2-oxobutyl)tetrazol-5-yl]methyl]carbamate?
The InChIKey is DVQQYYRDQJZZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-5-8(17)7-16-9(13-14-15-16)6-12-10(18)19-11(2,3)4/h5-7H2,1-4H3,(H,12,18).
What are the key properties of tert-butyl N-[[1-(2-oxobutyl)tetrazol-5-yl]methyl]carbamate?
tert-butyl N-[[1-(2-oxobutyl)tetrazol-5-yl]methyl]carbamate has a molecular weight of 269.30 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(2-oxobutyl)tetrazol-5-yl]methyl]carbamate is sourced from PubChem (CID 71853396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).