tert-butyl 3-[1-amino-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate

C13H24N6O2 — CID 107092802

IUPACtert-butyl 3-[1-amino-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate
SMILESCn1nnc(CC(N)C2CCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C13H24N6O2/c1-13(2,3)21-12(20)19-6-5-9(8-19)10(14)7-11-15-17-18(4)16-11/h9-10H,5-8,14H2,1-4H3
InChIKeyBETGHXYTLFCNEF-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.34
Rot. Bonds3

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

tert-butyl 3-[1-amino-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate (PubChem CID 107092802) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is tert-butyl 3-[1-amino-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-amino-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate
PubChem CID107092802
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC Nametert-butyl 3-[1-amino-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate
SMILESCn1nnc(CC(N)C2CCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C13H24N6O2/c1-13(2,3)21-12(20)19-6-5-9(8-19)10(14)7-11-15-17-18(4)16-11/h9-10H,5-8,14H2,1-4H3
InChIKeyBETGHXYTLFCNEF-UHFFFAOYSA-N
XLogP0.34
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-amino-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-amino-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate (CID 107092802) is tert-butyl 3-[1-amino-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-amino-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-amino-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate is Cn1nnc(CC(N)C2CCN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl 3-[1-amino-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate?
The InChIKey is BETGHXYTLFCNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-13(2,3)21-12(20)19-6-5-9(8-19)10(14)7-11-15-17-18(4)16-11/h9-10H,5-8,14H2,1-4H3.
What are the key properties of tert-butyl 3-[1-amino-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[1-amino-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate has a molecular weight of 296.38 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-amino-2-(2-methyltetrazol-5-yl)ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 107092802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).