butylaminomethoxyboronic acid

C5H14BNO3 — CID 175525808

IUPACbutylaminomethoxyboronic acid
SMILESCCCCNCOB(O)O
InChIInChI=1S/C5H14BNO3/c1-2-3-4-7-5-10-6(8)9/h7-9H,2-5H2,1H3
InChIKeyFZGUHKCETWUGLZ-UHFFFAOYSA-N
MW146.98 g/mol
LogP-0.68
Rot. Bonds6

About butylaminomethoxyboronic acid

butylaminomethoxyboronic acid (PubChem CID 175525808) has the molecular formula C5H14BNO3 and a molecular weight of 146.98 g/mol. Its IUPAC name is butylaminomethoxyboronic acid.

Molecular Properties

Compound Namebutylaminomethoxyboronic acid
PubChem CID175525808
Molecular FormulaC5H14BNO3
Molecular Weight146.98 g/mol
Exact Mass147.11
IUPAC Namebutylaminomethoxyboronic acid
SMILESCCCCNCOB(O)O
InChIInChI=1S/C5H14BNO3/c1-2-3-4-7-5-10-6(8)9/h7-9H,2-5H2,1H3
InChIKeyFZGUHKCETWUGLZ-UHFFFAOYSA-N
XLogP-0.68
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.98
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(pentylamino)methoxyboronic acid
CID 175525802
butylaminomethyl formate
CID 174618509
N-butylbutan-1-amine;hydrochloride
CID 3083954
N-butylbutan-1-amine;propan-1-ol
CID 174657089
nonadecoxyboronic acid
CID 154133434
potassium;N-butylbutan-1-amine;hydride
CID 174461538
N-butylbutan-1-amine;hydroxy(methyl)silane
CID 173448085
butylaminomethanol;propane
CID 169245417
copper;hexoxyboronic acid
CID 174901938
azane;hexoxyboronic acid
CID 174594578
butylaminomethyl ethyl hydrogen phosphate
CID 156783550
N-butyltetradecan-1-amine
CID 3548872

Frequently Asked Questions

What is the IUPAC name of butylaminomethoxyboronic acid?
The IUPAC name of butylaminomethoxyboronic acid (CID 175525808) is butylaminomethoxyboronic acid.
What is the SMILES notation for butylaminomethoxyboronic acid?
The canonical SMILES for butylaminomethoxyboronic acid is CCCCNCOB(O)O.
What is the InChIKey of butylaminomethoxyboronic acid?
The InChIKey is FZGUHKCETWUGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14BNO3/c1-2-3-4-7-5-10-6(8)9/h7-9H,2-5H2,1H3.
What are the key properties of butylaminomethoxyboronic acid?
butylaminomethoxyboronic acid has a molecular weight of 146.98 g/mol, XLogP of -0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butylaminomethoxyboronic acid is sourced from PubChem (CID 175525808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).