[(1S,2R)-2-aminocyclobutyl]methanol;hydrochloride

C5H12ClNO — CID 155820710

IUPAC[(1S,2R)-2-aminocyclobutyl]methanol;hydrochloride
SMILESCl.N[C@@H]1CC[C@@H]1CO
InChIInChI=1S/C5H11NO.ClH/c6-5-2-1-4(5)3-7;/h4-5,7H,1-3,6H2;1H/t4-,5-;/m1./s1
InChIKeyXAYVFGCHLQIVEY-TYSVMGFPSA-N
MW137.61 g/mol
LogP0.14
Rot. Bonds1

About [(1S,2R)-2-aminocyclobutyl]methanol;hydrochloride

[(1S,2R)-2-aminocyclobutyl]methanol;hydrochloride (PubChem CID 155820710) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is [(1S,2R)-2-aminocyclobutyl]methanol;hydrochloride.

Molecular Properties

Compound Name[(1S,2R)-2-aminocyclobutyl]methanol;hydrochloride
PubChem CID155820710
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name[(1S,2R)-2-aminocyclobutyl]methanol;hydrochloride
SMILESCl.N[C@@H]1CC[C@@H]1CO
InChIInChI=1S/C5H11NO.ClH/c6-5-2-1-4(5)3-7;/h4-5,7H,1-3,6H2;1H/t4-,5-;/m1./s1
InChIKeyXAYVFGCHLQIVEY-TYSVMGFPSA-N
XLogP0.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-aminocyclobutyl]methanol;hydrochloride?
The IUPAC name of [(1S,2R)-2-aminocyclobutyl]methanol;hydrochloride (CID 155820710) is [(1S,2R)-2-aminocyclobutyl]methanol;hydrochloride.
What is the SMILES notation for [(1S,2R)-2-aminocyclobutyl]methanol;hydrochloride?
The canonical SMILES for [(1S,2R)-2-aminocyclobutyl]methanol;hydrochloride is Cl.N[C@@H]1CC[C@@H]1CO.
What is the InChIKey of [(1S,2R)-2-aminocyclobutyl]methanol;hydrochloride?
The InChIKey is XAYVFGCHLQIVEY-TYSVMGFPSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c6-5-2-1-4(5)3-7;/h4-5,7H,1-3,6H2;1H/t4-,5-;/m1./s1.
What are the key properties of [(1S,2R)-2-aminocyclobutyl]methanol;hydrochloride?
[(1S,2R)-2-aminocyclobutyl]methanol;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-aminocyclobutyl]methanol;hydrochloride is sourced from PubChem (CID 155820710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).