azetidin-1-yl(methyl)borinic acid

C4H10BNO — CID 59986917

IUPACazetidin-1-yl(methyl)borinic acid
SMILESCB(O)N1CCC1
InChIInChI=1S/C4H10BNO/c1-5(7)6-3-2-4-6/h7H,2-4H2,1H3
InChIKeyMDPWBTUOUWFAIP-UHFFFAOYSA-N
MW98.94 g/mol
LogP-0.20
Rot. Bonds1

About azetidin-1-yl(methyl)borinic acid

azetidin-1-yl(methyl)borinic acid (PubChem CID 59986917) has the molecular formula C4H10BNO and a molecular weight of 98.94 g/mol. Its IUPAC name is azetidin-1-yl(methyl)borinic acid.

Molecular Properties

Compound Nameazetidin-1-yl(methyl)borinic acid
PubChem CID59986917
Molecular FormulaC4H10BNO
Molecular Weight98.94 g/mol
Exact Mass99.09
IUPAC Nameazetidin-1-yl(methyl)borinic acid
SMILESCB(O)N1CCC1
InChIInChI=1S/C4H10BNO/c1-5(7)6-3-2-4-6/h7H,2-4H2,1H3
InChIKeyMDPWBTUOUWFAIP-UHFFFAOYSA-N
XLogP-0.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.94
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-3-(azetidin-1-yl)piperidin-1-yl]-methylborinic acid
CID 165156573
methyl-(3-methylpiperidin-1-yl)borinic acid
CID 18713308
[(3R)-3-ethylpiperidin-1-yl]-methylborinic acid
CID 59880832
(4-carbamoylpiperidin-1-yl)-methylborinic acid
CID 23553295
methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid
CID 156684362
(3-aminopyrrolidin-1-yl)-methylborinic acid
CID 21035713
(4-methoxy-4-methoxycarbonylpiperidin-1-yl)-methylborinic acid
CID 23548999
methyl-(2-methylpyrrolidin-1-yl)borinic acid
CID 158759430
[4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-methylborinic acid
CID 21018654
[4-(2-hydroxyanilino)piperidin-1-yl]-methylborinic acid
CID 20765939
N-[(3R)-3-formyl-1-[hydroxy(methyl)boranyl]pyrrolidin-3-yl]-methylboronamidic acid
CID 59671666
methyl-[7-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]borinic acid
CID 156680020

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl(methyl)borinic acid?
The IUPAC name of azetidin-1-yl(methyl)borinic acid (CID 59986917) is azetidin-1-yl(methyl)borinic acid.
What is the SMILES notation for azetidin-1-yl(methyl)borinic acid?
The canonical SMILES for azetidin-1-yl(methyl)borinic acid is CB(O)N1CCC1.
What is the InChIKey of azetidin-1-yl(methyl)borinic acid?
The InChIKey is MDPWBTUOUWFAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BNO/c1-5(7)6-3-2-4-6/h7H,2-4H2,1H3.
What are the key properties of azetidin-1-yl(methyl)borinic acid?
azetidin-1-yl(methyl)borinic acid has a molecular weight of 98.94 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl(methyl)borinic acid is sourced from PubChem (CID 59986917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).