[(3S)-pyrrolidin-3-yl]boronic acid

C4H10BNO2 — CID 99774592

IUPAC[(3S)-pyrrolidin-3-yl]boronic acid
SMILESOB(O)[C@H]1CCNC1
InChIInChI=1S/C4H10BNO2/c7-5(8)4-1-2-6-3-4/h4,6-8H,1-3H2/t4-/m0/s1
InChIKeyZXXYWZUJUOXWEB-BYPYZUCNSA-N
MW114.94 g/mol
LogP-1.18
Rot. Bonds1

About [(3S)-pyrrolidin-3-yl]boronic acid

[(3S)-pyrrolidin-3-yl]boronic acid (PubChem CID 99774592) has the molecular formula C4H10BNO2 and a molecular weight of 114.94 g/mol. Its IUPAC name is [(3S)-pyrrolidin-3-yl]boronic acid.

Molecular Properties

Compound Name[(3S)-pyrrolidin-3-yl]boronic acid
PubChem CID99774592
Molecular FormulaC4H10BNO2
Molecular Weight114.94 g/mol
Exact Mass115.08
IUPAC Name[(3S)-pyrrolidin-3-yl]boronic acid
SMILESOB(O)[C@H]1CCNC1
InChIInChI=1S/C4H10BNO2/c7-5(8)4-1-2-6-3-4/h4,6-8H,1-3H2/t4-/m0/s1
InChIKeyZXXYWZUJUOXWEB-BYPYZUCNSA-N
XLogP-1.18
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.94
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl(pyrrolidin-3-yl)borinic acid
CID 90334169
1,3-diazinan-5-ylboronic acid
CID 42608850
piperidin-3-yloxyboronic acid
CID 142674048
methyl-N-pyrrolidin-3-ylboronamidic acid
CID 22966452
pyrrolidin-3-ol;yttrium
CID 171793712
pyrrolidin-3-ol;uranium
CID 143428396
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
3-methylpyrrolidine;phosphinous acid
CID 142914115
ethane;methanol;3-methylpyrrolidine
CID 143573656
(1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol
CID 55287714
(3R)-3-aminopiperidin-4-ol
CID 52917019
4-aminopiperidin-3-ol
CID 54373786

Frequently Asked Questions

What is the IUPAC name of [(3S)-pyrrolidin-3-yl]boronic acid?
The IUPAC name of [(3S)-pyrrolidin-3-yl]boronic acid (CID 99774592) is [(3S)-pyrrolidin-3-yl]boronic acid.
What is the SMILES notation for [(3S)-pyrrolidin-3-yl]boronic acid?
The canonical SMILES for [(3S)-pyrrolidin-3-yl]boronic acid is OB(O)[C@H]1CCNC1.
What is the InChIKey of [(3S)-pyrrolidin-3-yl]boronic acid?
The InChIKey is ZXXYWZUJUOXWEB-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H10BNO2/c7-5(8)4-1-2-6-3-4/h4,6-8H,1-3H2/t4-/m0/s1.
What are the key properties of [(3S)-pyrrolidin-3-yl]boronic acid?
[(3S)-pyrrolidin-3-yl]boronic acid has a molecular weight of 114.94 g/mol, XLogP of -1.18, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-pyrrolidin-3-yl]boronic acid is sourced from PubChem (CID 99774592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).