[2-(ethoxycarbonylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate

C13H13N5O5 — CID 2535658

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
SMILESCCOC(=O)NC(=O)COC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H13N5O5/c1-2-22-13(21)15-11(19)7-23-12(20)9-3-5-10(6-4-9)18-8-14-16-17-18/h3-6,8H,2,7H2,1H3,(H,15,19,21)
InChIKeyCBLISMFAXGWXTB-UHFFFAOYSA-N
MW319.28 g/mol
LogP0.09
Rot. Bonds5

About [2-(ethoxycarbonylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate

[2-(ethoxycarbonylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate (PubChem CID 2535658) has the molecular formula C13H13N5O5 and a molecular weight of 319.28 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
PubChem CID2535658
Molecular FormulaC13H13N5O5
Molecular Weight319.28 g/mol
Exact Mass319.09
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
SMILESCCOC(=O)NC(=O)COC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H13N5O5/c1-2-22-13(21)15-11(19)7-23-12(20)9-3-5-10(6-4-9)18-8-14-16-17-18/h3-6,8H,2,7H2,1H3,(H,15,19,21)
InChIKeyCBLISMFAXGWXTB-UHFFFAOYSA-N
XLogP0.09
TPSA125.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-(ethoxycarbonylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2665575
ethyl 4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate
CID 1259832
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535996
[2-(4-ethylphenyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535527
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-formylbenzoate
CID 2504377
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 9455525
[2-(ethoxycarbonylamino)-2-oxoethyl] benzoate
CID 2516974
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 7505912
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535814
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507633
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2665566
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535920

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate (CID 2535658) is [2-(ethoxycarbonylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate is CCOC(=O)NC(=O)COC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
The InChIKey is CBLISMFAXGWXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O5/c1-2-22-13(21)15-11(19)7-23-12(20)9-3-5-10(6-4-9)18-8-14-16-17-18/h3-6,8H,2,7H2,1H3,(H,15,19,21).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate has a molecular weight of 319.28 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 2535658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).