[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate

C17H19N5O3 — CID 18193721

IUPAC[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
SMILESCCN(C(=O)COC(=O)c1cccc(-n2cnnn2)c1)C1=CCCC1
InChIInChI=1S/C17H19N5O3/c1-2-21(14-7-3-4-8-14)16(23)11-25-17(24)13-6-5-9-15(10-13)22-12-18-19-20-22/h5-7,9-10,12H,2-4,8,11H2,1H3
InChIKeyLTXXONNGQQQSJA-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.74
Rot. Bonds6

About [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate

[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate (PubChem CID 18193721) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
PubChem CID18193721
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
SMILESCCN(C(=O)COC(=O)c1cccc(-n2cnnn2)c1)C1=CCCC1
InChIInChI=1S/C17H19N5O3/c1-2-21(14-7-3-4-8-14)16(23)11-25-17(24)13-6-5-9-15(10-13)22-12-18-19-20-22/h5-7,9-10,12H,2-4,8,11H2,1H3
InChIKeyLTXXONNGQQQSJA-UHFFFAOYSA-N
XLogP1.74
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate
CID 18193790
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 18193487
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 42405028
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 18080459
ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate
CID 41195072
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 18193438
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(tetrazol-1-yl)benzoate
CID 41195211
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 30431324
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 18158137
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 18193445
[2-(4-chloroanilino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 41195036
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 41195394

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate (CID 18193721) is [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate is CCN(C(=O)COC(=O)c1cccc(-n2cnnn2)c1)C1=CCCC1.
What is the InChIKey of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
The InChIKey is LTXXONNGQQQSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-2-21(14-7-3-4-8-14)16(23)11-25-17(24)13-6-5-9-15(10-13)22-12-18-19-20-22/h5-7,9-10,12H,2-4,8,11H2,1H3.
What are the key properties of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate?
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate has a molecular weight of 341.37 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 18193721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).