(1S,3R,4R)-4-aminocyclopentane-1,3-diol;hydrochloride

C5H12ClNO2 — CID 138987873

IUPAC(1S,3R,4R)-4-aminocyclopentane-1,3-diol;hydrochloride
SMILESCl.N[C@@H]1C[C@H](O)C[C@H]1O
InChIInChI=1S/C5H11NO2.ClH/c6-4-1-3(7)2-5(4)8;/h3-5,7-8H,1-2,6H2;1H/t3-,4+,5+;/m0./s1
InChIKeyHISQDHHEVRZPBF-UJPDDDSFSA-N
MW153.61 g/mol
LogP-0.75
Rot. Bonds

About (1S,3R,4R)-4-aminocyclopentane-1,3-diol;hydrochloride

(1S,3R,4R)-4-aminocyclopentane-1,3-diol;hydrochloride (PubChem CID 138987873) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is (1S,3R,4R)-4-aminocyclopentane-1,3-diol;hydrochloride.

Molecular Properties

Compound Name(1S,3R,4R)-4-aminocyclopentane-1,3-diol;hydrochloride
PubChem CID138987873
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name(1S,3R,4R)-4-aminocyclopentane-1,3-diol;hydrochloride
SMILESCl.N[C@@H]1C[C@H](O)C[C@H]1O
InChIInChI=1S/C5H11NO2.ClH/c6-4-1-3(7)2-5(4)8;/h3-5,7-8H,1-2,6H2;1H/t3-,4+,5+;/m0./s1
InChIKeyHISQDHHEVRZPBF-UJPDDDSFSA-N
XLogP-0.75
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-4-aminocyclopentane-1,3-diol;hydrochloride?
The IUPAC name of (1S,3R,4R)-4-aminocyclopentane-1,3-diol;hydrochloride (CID 138987873) is (1S,3R,4R)-4-aminocyclopentane-1,3-diol;hydrochloride.
What is the SMILES notation for (1S,3R,4R)-4-aminocyclopentane-1,3-diol;hydrochloride?
The canonical SMILES for (1S,3R,4R)-4-aminocyclopentane-1,3-diol;hydrochloride is Cl.N[C@@H]1C[C@H](O)C[C@H]1O.
What is the InChIKey of (1S,3R,4R)-4-aminocyclopentane-1,3-diol;hydrochloride?
The InChIKey is HISQDHHEVRZPBF-UJPDDDSFSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c6-4-1-3(7)2-5(4)8;/h3-5,7-8H,1-2,6H2;1H/t3-,4+,5+;/m0./s1.
What are the key properties of (1S,3R,4R)-4-aminocyclopentane-1,3-diol;hydrochloride?
(1S,3R,4R)-4-aminocyclopentane-1,3-diol;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of -0.75, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-4-aminocyclopentane-1,3-diol;hydrochloride is sourced from PubChem (CID 138987873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).