[5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid

C14H22BN5O2 — CID 170795389

IUPAC[5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid
SMILESC[C@H](c1ccccc1)n1nnnc1C(N)CCCCB(O)O
InChIInChI=1S/C14H22BN5O2/c1-11(12-7-3-2-4-8-12)20-14(17-18-19-20)13(16)9-5-6-10-15(21)22/h2-4,7-8,11,13,21-22H,5-6,9-10,16H2,1H3/t11-,13?/m1/s1
InChIKeyIKFWRQDOZUOWAI-JTDNENJMSA-N
MW303.17 g/mol
LogP0.93
Rot. Bonds8

About [5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid

[5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid (PubChem CID 170795389) has the molecular formula C14H22BN5O2 and a molecular weight of 303.17 g/mol. Its IUPAC name is [5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid.

Molecular Properties

Compound Name[5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid
PubChem CID170795389
Molecular FormulaC14H22BN5O2
Molecular Weight303.17 g/mol
Exact Mass303.19
IUPAC Name[5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid
SMILESC[C@H](c1ccccc1)n1nnnc1C(N)CCCCB(O)O
InChIInChI=1S/C14H22BN5O2/c1-11(12-7-3-2-4-8-12)20-14(17-18-19-20)13(16)9-5-6-10-15(21)22/h2-4,7-8,11,13,21-22H,5-6,9-10,16H2,1H3/t11-,13?/m1/s1
InChIKeyIKFWRQDOZUOWAI-JTDNENJMSA-N
XLogP0.93
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid?
The IUPAC name of [5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid (CID 170795389) is [5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid.
What is the SMILES notation for [5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid?
The canonical SMILES for [5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid is C[C@H](c1ccccc1)n1nnnc1C(N)CCCCB(O)O.
What is the InChIKey of [5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid?
The InChIKey is IKFWRQDOZUOWAI-JTDNENJMSA-N. The full InChI is InChI=1S/C14H22BN5O2/c1-11(12-7-3-2-4-8-12)20-14(17-18-19-20)13(16)9-5-6-10-15(21)22/h2-4,7-8,11,13,21-22H,5-6,9-10,16H2,1H3/t11-,13?/m1/s1.
What are the key properties of [5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid?
[5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid has a molecular weight of 303.17 g/mol, XLogP of 0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-5-[1-[(1R)-1-phenylethyl]tetrazol-5-yl]pentyl]boronic acid is sourced from PubChem (CID 170795389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).