[5-amino-5-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]tetrazol-5-yl]pentyl]boronic acid

C14H28BN7O4 — CID 170795368

IUPAC[5-amino-5-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]tetrazol-5-yl]pentyl]boronic acid
SMILESNC(CCCCB(O)O)c1nnnn1CC(=O)NCCN1CCOCC1
InChIInChI=1S/C14H28BN7O4/c16-12(3-1-2-4-15(24)25)14-18-19-20-22(14)11-13(23)17-5-6-21-7-9-26-10-8-21/h12,24-25H,1-11,16H2,(H,17,23)
InChIKeyJLHKIBNPIFASEG-UHFFFAOYSA-N
MW369.24 g/mol
LogP-2.24
Rot. Bonds11

About [5-amino-5-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]tetrazol-5-yl]pentyl]boronic acid

[5-amino-5-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]tetrazol-5-yl]pentyl]boronic acid (PubChem CID 170795368) has the molecular formula C14H28BN7O4 and a molecular weight of 369.24 g/mol. Its IUPAC name is [5-amino-5-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]tetrazol-5-yl]pentyl]boronic acid.

Molecular Properties

Compound Name[5-amino-5-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]tetrazol-5-yl]pentyl]boronic acid
PubChem CID170795368
Molecular FormulaC14H28BN7O4
Molecular Weight369.24 g/mol
Exact Mass369.23
IUPAC Name[5-amino-5-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]tetrazol-5-yl]pentyl]boronic acid
SMILESNC(CCCCB(O)O)c1nnnn1CC(=O)NCCN1CCOCC1
InChIInChI=1S/C14H28BN7O4/c16-12(3-1-2-4-15(24)25)14-18-19-20-22(14)11-13(23)17-5-6-21-7-9-26-10-8-21/h12,24-25H,1-11,16H2,(H,17,23)
InChIKeyJLHKIBNPIFASEG-UHFFFAOYSA-N
XLogP-2.24
TPSA151.65 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 5-2.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-amino-5-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]tetrazol-5-yl]pentyl]boronic acid?
The IUPAC name of [5-amino-5-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]tetrazol-5-yl]pentyl]boronic acid (CID 170795368) is [5-amino-5-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]tetrazol-5-yl]pentyl]boronic acid.
What is the SMILES notation for [5-amino-5-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]tetrazol-5-yl]pentyl]boronic acid?
The canonical SMILES for [5-amino-5-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]tetrazol-5-yl]pentyl]boronic acid is NC(CCCCB(O)O)c1nnnn1CC(=O)NCCN1CCOCC1.
What is the InChIKey of [5-amino-5-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]tetrazol-5-yl]pentyl]boronic acid?
The InChIKey is JLHKIBNPIFASEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BN7O4/c16-12(3-1-2-4-15(24)25)14-18-19-20-22(14)11-13(23)17-5-6-21-7-9-26-10-8-21/h12,24-25H,1-11,16H2,(H,17,23).
What are the key properties of [5-amino-5-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]tetrazol-5-yl]pentyl]boronic acid?
[5-amino-5-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]tetrazol-5-yl]pentyl]boronic acid has a molecular weight of 369.24 g/mol, XLogP of -2.24, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-5-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]tetrazol-5-yl]pentyl]boronic acid is sourced from PubChem (CID 170795368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).