tert-butyl N-[2-[1-(2-aminooxyethyl)tetrazol-5-yl]ethyl]carbamate

C10H20N6O3 — CID 140918925

IUPACtert-butyl N-[2-[1-(2-aminooxyethyl)tetrazol-5-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nnnn1CCON
InChIInChI=1S/C10H20N6O3/c1-10(2,3)19-9(17)12-5-4-8-13-14-15-16(8)6-7-18-11/h4-7,11H2,1-3H3,(H,12,17)
InChIKeyLPUNIPGCOQCVQH-UHFFFAOYSA-N
MW272.31 g/mol
LogP-0.37
Rot. Bonds6

About tert-butyl N-[2-[1-(2-aminooxyethyl)tetrazol-5-yl]ethyl]carbamate

tert-butyl N-[2-[1-(2-aminooxyethyl)tetrazol-5-yl]ethyl]carbamate (PubChem CID 140918925) has the molecular formula C10H20N6O3 and a molecular weight of 272.31 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2-aminooxyethyl)tetrazol-5-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2-aminooxyethyl)tetrazol-5-yl]ethyl]carbamate
PubChem CID140918925
Molecular FormulaC10H20N6O3
Molecular Weight272.31 g/mol
Exact Mass272.16
IUPAC Nametert-butyl N-[2-[1-(2-aminooxyethyl)tetrazol-5-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nnnn1CCON
InChIInChI=1S/C10H20N6O3/c1-10(2,3)19-9(17)12-5-4-8-13-14-15-16(8)6-7-18-11/h4-7,11H2,1-3H3,(H,12,17)
InChIKeyLPUNIPGCOQCVQH-UHFFFAOYSA-N
XLogP-0.37
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2-aminooxyethyl)tetrazol-5-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(2-aminooxyethyl)tetrazol-5-yl]ethyl]carbamate (CID 140918925) is tert-butyl N-[2-[1-(2-aminooxyethyl)tetrazol-5-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2-aminooxyethyl)tetrazol-5-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2-aminooxyethyl)tetrazol-5-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1nnnn1CCON.
What is the InChIKey of tert-butyl N-[2-[1-(2-aminooxyethyl)tetrazol-5-yl]ethyl]carbamate?
The InChIKey is LPUNIPGCOQCVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O3/c1-10(2,3)19-9(17)12-5-4-8-13-14-15-16(8)6-7-18-11/h4-7,11H2,1-3H3,(H,12,17).
What are the key properties of tert-butyl N-[2-[1-(2-aminooxyethyl)tetrazol-5-yl]ethyl]carbamate?
tert-butyl N-[2-[1-(2-aminooxyethyl)tetrazol-5-yl]ethyl]carbamate has a molecular weight of 272.31 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(2-aminooxyethyl)tetrazol-5-yl]ethyl]carbamate is sourced from PubChem (CID 140918925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).