[(1S,2S)-2-hydroxycyclopentyl]azanium chloride

C5H12ClNO — CID 139071897

IUPAC[(1S,2S)-2-hydroxycyclopentyl]azanium chloride
SMILES[Cl-].[NH3+][C@H]1CCC[C@@H]1O
InChIInChI=1S/C5H11NO.ClH/c6-4-2-1-3-5(4)7;/h4-5,7H,1-3,6H2;1H/t4-,5-;/m0./s1
InChIKeyZFSXKSSWYSZPGQ-FHAQVOQBSA-N
MW137.61 g/mol
LogP-3.85
Rot. Bonds

About [(1S,2S)-2-hydroxycyclopentyl]azanium chloride

[(1S,2S)-2-hydroxycyclopentyl]azanium chloride (PubChem CID 139071897) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is [(1S,2S)-2-hydroxycyclopentyl]azanium chloride.

Molecular Properties

Compound Name[(1S,2S)-2-hydroxycyclopentyl]azanium chloride
PubChem CID139071897
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name[(1S,2S)-2-hydroxycyclopentyl]azanium chloride
SMILES[Cl-].[NH3+][C@H]1CCC[C@@H]1O
InChIInChI=1S/C5H11NO.ClH/c6-4-2-1-3-5(4)7;/h4-5,7H,1-3,6H2;1H/t4-,5-;/m0./s1
InChIKeyZFSXKSSWYSZPGQ-FHAQVOQBSA-N
XLogP-3.85
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 5-3.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

rac-(1R,2R)-2-aminocyclopentan-1-ol
CID 10464306
NoName_4581
CID 143443
(1S,2S)-2-aminocyclopentan-1-ol hydrochloride
CID 16211106
(1S,2S,4R)-2,4-diaminocyclopentan-1-ol
CID 11629596
(1R,2R)-2-aminocyclopentan-1-ol hydrochloride
CID 12886906
(1R,2S)-2-aminocyclopentan-1-ol hydrochloride
CID 16211105
(1S,2R)-2-aminocyclopentan-1-ol hydrochloride
CID 17039404
3-Aminocyclopentanol hydrochloride
CID 19818428
rac-(1R,3R)-3-aminocyclopentan-1-ol hydrochloride
CID 42609651
(1S,3R)-3-Aminocyclopentanol hydrochloride
CID 56845290
(1S,3S)-3-aminocyclopentan-1-ol hydrochloride
CID 67639271
rac-(1R,2R)-2-amino-4,4-difluorocyclopentan-1-ol
CID 105427899

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-hydroxycyclopentyl]azanium chloride?
The IUPAC name of [(1S,2S)-2-hydroxycyclopentyl]azanium chloride (CID 139071897) is [(1S,2S)-2-hydroxycyclopentyl]azanium chloride.
What is the SMILES notation for [(1S,2S)-2-hydroxycyclopentyl]azanium chloride?
The canonical SMILES for [(1S,2S)-2-hydroxycyclopentyl]azanium chloride is [Cl-].[NH3+][C@H]1CCC[C@@H]1O.
What is the InChIKey of [(1S,2S)-2-hydroxycyclopentyl]azanium chloride?
The InChIKey is ZFSXKSSWYSZPGQ-FHAQVOQBSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c6-4-2-1-3-5(4)7;/h4-5,7H,1-3,6H2;1H/t4-,5-;/m0./s1.
What are the key properties of [(1S,2S)-2-hydroxycyclopentyl]azanium chloride?
[(1S,2S)-2-hydroxycyclopentyl]azanium chloride has a molecular weight of 137.61 g/mol, XLogP of -3.85, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-hydroxycyclopentyl]azanium chloride is sourced from PubChem (CID 139071897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).