trans-(1S,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride

C5H12ClNO — CID 155821891

IUPACtrans-(1S,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride
SMILESCl.NC[C@@H]1CC[C@@H]1O
InChIInChI=1S/C5H11NO.ClH/c6-3-4-1-2-5(4)7;/h4-5,7H,1-3,6H2;1H/t4-,5-;/m0./s1
InChIKeyPFPIBECRKHFOJR-FHAQVOQBSA-N
MW137.61 g/mol
LogP0.14
Rot. Bonds1

About trans-(1S,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride

trans-(1S,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride (PubChem CID 155821891) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is trans-(1S,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride
PubChem CID155821891
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Nametrans-(1S,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride
SMILESCl.NC[C@@H]1CC[C@@H]1O
InChIInChI=1S/C5H11NO.ClH/c6-3-4-1-2-5(4)7;/h4-5,7H,1-3,6H2;1H/t4-,5-;/m0./s1
InChIKeyPFPIBECRKHFOJR-FHAQVOQBSA-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 trans-(1S,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride?
The IUPAC name of trans-(1S,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride (CID 155821891) is trans-(1S,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride.
What is the SMILES notation for trans-(1S,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride?
The canonical SMILES for trans-(1S,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride is Cl.NC[C@@H]1CC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride?
The InChIKey is PFPIBECRKHFOJR-FHAQVOQBSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c6-3-4-1-2-5(4)7;/h4-5,7H,1-3,6H2;1H/t4-,5-;/m0./s1.
What are the key properties of trans-(1S,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride?
trans-(1S,2S)-2-(aminomethyl)cyclobutan-1-ol;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 trans-(1S,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride is sourced from PubChem (CID 155821891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).