5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid

C13H15N5O3 — CID 62033210

IUPAC5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H15N5O3/c19-12(20)3-1-2-8-14-13(21)10-4-6-11(7-5-10)18-9-15-16-17-18/h4-7,9H,1-3,8H2,(H,14,21)(H,19,20)
InChIKeyOJTJJYLKSCIRPU-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.65
Rot. Bonds7

About 5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid

5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid (PubChem CID 62033210) has the molecular formula C13H15N5O3 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
PubChem CID62033210
Molecular FormulaC13H15N5O3
Molecular Weight289.29 g/mol
Exact Mass289.12
IUPAC Name5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H15N5O3/c19-12(20)3-1-2-8-14-13(21)10-4-6-11(7-5-10)18-9-15-16-17-18/h4-7,9H,1-3,8H2,(H,14,21)(H,19,20)
InChIKeyOJTJJYLKSCIRPU-UHFFFAOYSA-N
XLogP0.65
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide
CID 43600862
N-[2-(ethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 55101010
4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide
CID 171132793
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
CID 66172388
3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
CID 60988731
7-[(4-carbamoylbenzoyl)amino]heptanoic acid
CID 43358997
N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 104593682
N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide
CID 65109439
N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide
CID 115612743
6-[(1-phenyltriazole-4-carbonyl)amino]hexanoic acid
CID 119220200
7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid?
The IUPAC name of 5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid (CID 62033210) is 5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid?
The canonical SMILES for 5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid is O=C(O)CCCCNC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid?
The InChIKey is OJTJJYLKSCIRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c19-12(20)3-1-2-8-14-13(21)10-4-6-11(7-5-10)18-9-15-16-17-18/h4-7,9H,1-3,8H2,(H,14,21)(H,19,20).
What are the key properties of 5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid?
5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid has a molecular weight of 289.29 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 62033210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).