[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate

C15H19N5O3 — CID 42405028

IUPAC[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
SMILESCCC(C)(C)NC(=O)COC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H19N5O3/c1-4-15(2,3)17-13(21)9-23-14(22)11-6-5-7-12(8-11)20-10-16-18-19-20/h5-8,10H,4,9H2,1-3H3,(H,17,21)
InChIKeyTVGICXWJNSXLCL-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.12
Rot. Bonds6

About [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate

[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate (PubChem CID 42405028) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
PubChem CID42405028
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
SMILESCCC(C)(C)NC(=O)COC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H19N5O3/c1-4-15(2,3)17-13(21)9-23-14(22)11-6-5-7-12(8-11)20-10-16-18-19-20/h5-8,10H,4,9H2,1-3H3,(H,17,21)
InChIKeyTVGICXWJNSXLCL-UHFFFAOYSA-N
XLogP1.12
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate (CID 42405028) is [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate is CCC(C)(C)NC(=O)COC(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
The InChIKey is TVGICXWJNSXLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-4-15(2,3)17-13(21)9-23-14(22)11-6-5-7-12(8-11)20-10-16-18-19-20/h5-8,10H,4,9H2,1-3H3,(H,17,21).
What are the key properties of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate has a molecular weight of 317.35 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 42405028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).