[(2S)-2-methoxycyclobutyl]azanium

C5H12NO+ — CID 162453896

IUPAC[(2S)-2-methoxycyclobutyl]azanium
SMILESCO[C@H]1CCC1[NH3+]
InChIInChI=1S/C5H11NO/c1-7-5-3-2-4(5)6/h4-5H,2-3,6H2,1H3/p+1/t4?,5-/m0/s1
InChIKeyWUELCKYQWFSJNE-AKGZTFGVSA-O
MW102.16 g/mol
LogP-0.59
Rot. Bonds1

About [(2S)-2-methoxycyclobutyl]azanium

[(2S)-2-methoxycyclobutyl]azanium (PubChem CID 162453896) has the molecular formula C5H12NO+ and a molecular weight of 102.16 g/mol. Its IUPAC name is [(2S)-2-methoxycyclobutyl]azanium.

Molecular Properties

Compound Name[(2S)-2-methoxycyclobutyl]azanium
PubChem CID162453896
Molecular FormulaC5H12NO+
Molecular Weight102.16 g/mol
Exact Mass102.09
IUPAC Name[(2S)-2-methoxycyclobutyl]azanium
SMILESCO[C@H]1CCC1[NH3+]
InChIInChI=1S/C5H11NO/c1-7-5-3-2-4(5)6/h4-5H,2-3,6H2,1H3/p+1/t4?,5-/m0/s1
InChIKeyWUELCKYQWFSJNE-AKGZTFGVSA-O
XLogP-0.59
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-2-methoxycyclobutane
CID 166727939
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
(1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane
CID 166889412
1,2-dimethoxy-3-methylcyclopentane
CID 57086988
1,2,4-trimethoxycyclohexane
CID 547386
(1S,2R,3S)-3-methoxycyclopentane-1,2-diol
CID 130972133
2,6-dimethoxy-9-azabicyclo[3.3.1]nonane;hydrochloride
CID 138987613
3,6-dimethoxy-2-methyloxane;ethane
CID 145337988
[(1R,2R)-2-methoxycyclobutyl]methanethiol
CID 155820893
trans-(1R,2R)-2-methoxy-N-methylcyclobutan-1-amine;hydrochloride
CID 155973487
1,4-dimethoxy-2,3-dimethylcyclohexane;tris(1-methoxy-2,3,4-trimethylcyclohexane);hexakis(1,2,3,4-tetramethylcyclohexane);decahydrate
CID 160507704
(1S)-1-cyclobutyl-2-methoxycyclobutane
CID 89278867

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methoxycyclobutyl]azanium?
The IUPAC name of [(2S)-2-methoxycyclobutyl]azanium (CID 162453896) is [(2S)-2-methoxycyclobutyl]azanium.
What is the SMILES notation for [(2S)-2-methoxycyclobutyl]azanium?
The canonical SMILES for [(2S)-2-methoxycyclobutyl]azanium is CO[C@H]1CCC1[NH3+].
What is the InChIKey of [(2S)-2-methoxycyclobutyl]azanium?
The InChIKey is WUELCKYQWFSJNE-AKGZTFGVSA-O. The full InChI is InChI=1S/C5H11NO/c1-7-5-3-2-4(5)6/h4-5H,2-3,6H2,1H3/p+1/t4?,5-/m0/s1.
What are the key properties of [(2S)-2-methoxycyclobutyl]azanium?
[(2S)-2-methoxycyclobutyl]azanium has a molecular weight of 102.16 g/mol, XLogP of -0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methoxycyclobutyl]azanium is sourced from PubChem (CID 162453896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).