tert-butyl (2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate

C10H17N5O2 — CID 25224105

IUPACtert-butyl (2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C10H17N5O2/c1-10(2,3)17-9(16)15-6-4-5-7(15)8-11-13-14-12-8/h7H,4-6H2,1-3H3,(H,11,12,13,14)/t7-/m0/s1
InChIKeyKEKOWHLHSVLJLH-ZETCQYMHSA-N
MW239.28 g/mol
LogP1.27
Rot. Bonds1

About tert-butyl (2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate

tert-butyl (2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate (PubChem CID 25224105) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is tert-butyl (2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate
PubChem CID25224105
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Nametert-butyl (2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C10H17N5O2/c1-10(2,3)17-9(16)15-6-4-5-7(15)8-11-13-14-12-8/h7H,4-6H2,1-3H3,(H,11,12,13,14)/t7-/m0/s1
InChIKeyKEKOWHLHSVLJLH-ZETCQYMHSA-N
XLogP1.27
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate (CID 25224105) is tert-butyl (2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1c1nn[nH]n1.
What is the InChIKey of tert-butyl (2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate?
The InChIKey is KEKOWHLHSVLJLH-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-10(2,3)17-9(16)15-6-4-5-7(15)8-11-13-14-12-8/h7H,4-6H2,1-3H3,(H,11,12,13,14)/t7-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate has a molecular weight of 239.28 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 25224105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).