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

C5H12ClNO — CID 155821174

IUPACcis-(1R,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-UYXJWNHNSA-N
MW137.61 g/mol
LogP0.14
Rot. Bonds1

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

cis-(1R,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride (PubChem CID 155821174) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is cis-(1R,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride
PubChem CID155821174
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Namecis-(1R,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-UYXJWNHNSA-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 cis-(1R,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride?
The IUPAC name of cis-(1R,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride (CID 155821174) is cis-(1R,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride.
What is the SMILES notation for cis-(1R,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride?
The canonical SMILES for cis-(1R,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride is Cl.NC[C@@H]1CC[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride?
The InChIKey is PFPIBECRKHFOJR-UYXJWNHNSA-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 cis-(1R,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride?
cis-(1R,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 cis-(1R,2S)-2-(aminomethyl)cyclobutan-1-ol;hydrochloride is sourced from PubChem (CID 155821174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).