tert-butyl-[2-(2H-tetrazol-5-yl)ethyl]carbamic acid

C8H15N5O2 — CID 68788918

IUPACtert-butyl-[2-(2H-tetrazol-5-yl)ethyl]carbamic acid
SMILESCC(C)(C)N(CCc1nn[nH]n1)C(=O)O
InChIInChI=1S/C8H15N5O2/c1-8(2,3)13(7(14)15)5-4-6-9-11-12-10-6/h4-5H2,1-3H3,(H,14,15)(H,9,10,11,12)
InChIKeyUMNBUDIBNQRLNV-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.52
Rot. Bonds3

About tert-butyl-[2-(2H-tetrazol-5-yl)ethyl]carbamic acid

tert-butyl-[2-(2H-tetrazol-5-yl)ethyl]carbamic acid (PubChem CID 68788918) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is tert-butyl-[2-(2H-tetrazol-5-yl)ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-(2H-tetrazol-5-yl)ethyl]carbamic acid
PubChem CID68788918
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Nametert-butyl-[2-(2H-tetrazol-5-yl)ethyl]carbamic acid
SMILESCC(C)(C)N(CCc1nn[nH]n1)C(=O)O
InChIInChI=1S/C8H15N5O2/c1-8(2,3)13(7(14)15)5-4-6-9-11-12-10-6/h4-5H2,1-3H3,(H,14,15)(H,9,10,11,12)
InChIKeyUMNBUDIBNQRLNV-UHFFFAOYSA-N
XLogP0.52
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(2H-tetrazol-5-yl)ethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-(2H-tetrazol-5-yl)ethyl]carbamic acid (CID 68788918) is tert-butyl-[2-(2H-tetrazol-5-yl)ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-(2H-tetrazol-5-yl)ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-(2H-tetrazol-5-yl)ethyl]carbamic acid is CC(C)(C)N(CCc1nn[nH]n1)C(=O)O.
What is the InChIKey of tert-butyl-[2-(2H-tetrazol-5-yl)ethyl]carbamic acid?
The InChIKey is UMNBUDIBNQRLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-8(2,3)13(7(14)15)5-4-6-9-11-12-10-6/h4-5H2,1-3H3,(H,14,15)(H,9,10,11,12).
What are the key properties of tert-butyl-[2-(2H-tetrazol-5-yl)ethyl]carbamic acid?
tert-butyl-[2-(2H-tetrazol-5-yl)ethyl]carbamic acid has a molecular weight of 213.24 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(2H-tetrazol-5-yl)ethyl]carbamic acid is sourced from PubChem (CID 68788918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).