ethyl 2-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propanoate

C12H19N5O2 — CID 82365288

IUPACethyl 2-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propanoate
SMILESCCOC(=O)C(C)(C)N1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C12H19N5O2/c1-4-19-11(18)12(2,3)17-7-5-6-9(8-17)10-13-15-16-14-10/h6H,4-5,7-8H2,1-3H3,(H,13,14,15,16)
InChIKeyYHPCNTCMRPBZLD-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.63
Rot. Bonds4

About ethyl 2-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propanoate

ethyl 2-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propanoate (PubChem CID 82365288) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is ethyl 2-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propanoate
PubChem CID82365288
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Nameethyl 2-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propanoate
SMILESCCOC(=O)C(C)(C)N1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C12H19N5O2/c1-4-19-11(18)12(2,3)17-7-5-6-9(8-17)10-13-15-16-14-10/h6H,4-5,7-8H2,1-3H3,(H,13,14,15,16)
InChIKeyYHPCNTCMRPBZLD-UHFFFAOYSA-N
XLogP0.63
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propanoate?
The IUPAC name of ethyl 2-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propanoate (CID 82365288) is ethyl 2-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propanoate is CCOC(=O)C(C)(C)N1CCC=C(c2nn[nH]n2)C1.
What is the InChIKey of ethyl 2-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propanoate?
The InChIKey is YHPCNTCMRPBZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-4-19-11(18)12(2,3)17-7-5-6-9(8-17)10-13-15-16-14-10/h6H,4-5,7-8H2,1-3H3,(H,13,14,15,16).
What are the key properties of ethyl 2-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propanoate?
ethyl 2-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propanoate has a molecular weight of 265.32 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propanoate is sourced from PubChem (CID 82365288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).