tert-butyl 2-[2-[1-(2H-tetrazol-5-yl)ethylamino]propyl]pyrrolidine-1-carboxylate

C15H28N6O2 — CID 103723673

IUPACtert-butyl 2-[2-[1-(2H-tetrazol-5-yl)ethylamino]propyl]pyrrolidine-1-carboxylate
SMILESCC(CC1CCCN1C(=O)OC(C)(C)C)NC(C)c1nn[nH]n1
InChIInChI=1S/C15H28N6O2/c1-10(16-11(2)13-17-19-20-18-13)9-12-7-6-8-21(12)14(22)23-15(3,4)5/h10-12,16H,6-9H2,1-5H3,(H,17,18,19,20)
InChIKeyAOMHVDPIMUVBDW-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.03
Rot. Bonds5

About tert-butyl 2-[2-[1-(2H-tetrazol-5-yl)ethylamino]propyl]pyrrolidine-1-carboxylate

tert-butyl 2-[2-[1-(2H-tetrazol-5-yl)ethylamino]propyl]pyrrolidine-1-carboxylate (PubChem CID 103723673) has the molecular formula C15H28N6O2 and a molecular weight of 324.43 g/mol. Its IUPAC name is tert-butyl 2-[2-[1-(2H-tetrazol-5-yl)ethylamino]propyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[1-(2H-tetrazol-5-yl)ethylamino]propyl]pyrrolidine-1-carboxylate
PubChem CID103723673
Molecular FormulaC15H28N6O2
Molecular Weight324.43 g/mol
Exact Mass324.23
IUPAC Nametert-butyl 2-[2-[1-(2H-tetrazol-5-yl)ethylamino]propyl]pyrrolidine-1-carboxylate
SMILESCC(CC1CCCN1C(=O)OC(C)(C)C)NC(C)c1nn[nH]n1
InChIInChI=1S/C15H28N6O2/c1-10(16-11(2)13-17-19-20-18-13)9-12-7-6-8-21(12)14(22)23-15(3,4)5/h10-12,16H,6-9H2,1-5H3,(H,17,18,19,20)
InChIKeyAOMHVDPIMUVBDW-UHFFFAOYSA-N
XLogP2.03
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[1-(2H-tetrazol-5-yl)ethylamino]propyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[1-(2H-tetrazol-5-yl)ethylamino]propyl]pyrrolidine-1-carboxylate (CID 103723673) is tert-butyl 2-[2-[1-(2H-tetrazol-5-yl)ethylamino]propyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[1-(2H-tetrazol-5-yl)ethylamino]propyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[1-(2H-tetrazol-5-yl)ethylamino]propyl]pyrrolidine-1-carboxylate is CC(CC1CCCN1C(=O)OC(C)(C)C)NC(C)c1nn[nH]n1.
What is the InChIKey of tert-butyl 2-[2-[1-(2H-tetrazol-5-yl)ethylamino]propyl]pyrrolidine-1-carboxylate?
The InChIKey is AOMHVDPIMUVBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O2/c1-10(16-11(2)13-17-19-20-18-13)9-12-7-6-8-21(12)14(22)23-15(3,4)5/h10-12,16H,6-9H2,1-5H3,(H,17,18,19,20).
What are the key properties of tert-butyl 2-[2-[1-(2H-tetrazol-5-yl)ethylamino]propyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-[1-(2H-tetrazol-5-yl)ethylamino]propyl]pyrrolidine-1-carboxylate has a molecular weight of 324.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[1-(2H-tetrazol-5-yl)ethylamino]propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103723673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).