propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate

C13H15N5O3 — CID 17404193

IUPACpropan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)Cn2cnnn2)cc1
InChIInChI=1S/C13H15N5O3/c1-9(2)21-13(20)10-3-5-11(6-4-10)15-12(19)7-18-8-14-16-17-18/h3-6,8-9H,7H2,1-2H3,(H,15,19)
InChIKeyREBDGYRBPGBATI-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.88
Rot. Bonds5

About propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate

propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate (PubChem CID 17404193) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate
PubChem CID17404193
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Namepropan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)Cn2cnnn2)cc1
InChIInChI=1S/C13H15N5O3/c1-9(2)21-13(20)10-3-5-11(6-4-10)15-12(19)7-18-8-14-16-17-18/h3-6,8-9H,7H2,1-2H3,(H,15,19)
InChIKeyREBDGYRBPGBATI-UHFFFAOYSA-N
XLogP0.88
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide
CID 60533950
N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide
CID 78776629
N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
N-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide
CID 5297376
4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide
CID 60537913
ethyl 4-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]piperazine-1-carboxylate
CID 8932058
3-[4-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]propanoic acid
CID 81369358
N-(3-hydroxy-4-methylphenyl)-2-(tetrazol-1-yl)acetamide
CID 64795132
N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide
CID 126779440
propan-2-yl 4-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate
CID 1154537
propan-2-yl 4-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732145
N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 8778733

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate (CID 17404193) is propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)Cn2cnnn2)cc1.
What is the InChIKey of propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate?
The InChIKey is REBDGYRBPGBATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-9(2)21-13(20)10-3-5-11(6-4-10)15-12(19)7-18-8-14-16-17-18/h3-6,8-9H,7H2,1-2H3,(H,15,19).
What are the key properties of propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate?
propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate has a molecular weight of 289.30 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 17404193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).