ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-5-yl]acetate

C12H21N5O4 — CID 126666322

IUPACethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-5-yl]acetate
SMILESCCOC(=O)Cc1nnnn1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H21N5O4/c1-5-20-10(18)8-9-14-15-16-17(9)7-6-13-11(19)21-12(2,3)4/h5-8H2,1-4H3,(H,13,19)
InChIKeyOAOQTFQAMDNKDX-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.30
Rot. Bonds6

About ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-5-yl]acetate

ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-5-yl]acetate (PubChem CID 126666322) has the molecular formula C12H21N5O4 and a molecular weight of 299.33 g/mol. Its IUPAC name is ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-5-yl]acetate
PubChem CID126666322
Molecular FormulaC12H21N5O4
Molecular Weight299.33 g/mol
Exact Mass299.16
IUPAC Nameethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-5-yl]acetate
SMILESCCOC(=O)Cc1nnnn1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H21N5O4/c1-5-20-10(18)8-9-14-15-16-17(9)7-6-13-11(19)21-12(2,3)4/h5-8H2,1-4H3,(H,13,19)
InChIKeyOAOQTFQAMDNKDX-UHFFFAOYSA-N
XLogP0.30
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-5-yl]acetate?
The IUPAC name of ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-5-yl]acetate (CID 126666322) is ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-5-yl]acetate is CCOC(=O)Cc1nnnn1CCNC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-5-yl]acetate?
The InChIKey is OAOQTFQAMDNKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O4/c1-5-20-10(18)8-9-14-15-16-17(9)7-6-13-11(19)21-12(2,3)4/h5-8H2,1-4H3,(H,13,19).
What are the key properties of ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-5-yl]acetate?
ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-5-yl]acetate has a molecular weight of 299.33 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-5-yl]acetate is sourced from PubChem (CID 126666322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).