cis-(1R,2S)-4-aminocyclopentane-1,2-diol;hydrochloride

C5H12ClNO2 — CID 118994205

IUPACcis-(1R,2S)-4-aminocyclopentane-1,2-diol;hydrochloride
SMILESCl.NC1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C5H11NO2.ClH/c6-3-1-4(7)5(8)2-3;/h3-5,7-8H,1-2,6H2;1H/t3?,4-,5+;
InChIKeyVAAWFGANNVMGPH-RSCCPHMWSA-N
MW153.61 g/mol
LogP-0.75
Rot. Bonds

About cis-(1R,2S)-4-aminocyclopentane-1,2-diol;hydrochloride

cis-(1R,2S)-4-aminocyclopentane-1,2-diol;hydrochloride (PubChem CID 118994205) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is cis-(1R,2S)-4-aminocyclopentane-1,2-diol;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-4-aminocyclopentane-1,2-diol;hydrochloride
PubChem CID118994205
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Namecis-(1R,2S)-4-aminocyclopentane-1,2-diol;hydrochloride
SMILESCl.NC1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C5H11NO2.ClH/c6-3-1-4(7)5(8)2-3;/h3-5,7-8H,1-2,6H2;1H/t3?,4-,5+;
InChIKeyVAAWFGANNVMGPH-RSCCPHMWSA-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 cis-(1R,2S)-4-aminocyclopentane-1,2-diol;hydrochloride?
The IUPAC name of cis-(1R,2S)-4-aminocyclopentane-1,2-diol;hydrochloride (CID 118994205) is cis-(1R,2S)-4-aminocyclopentane-1,2-diol;hydrochloride.
What is the SMILES notation for cis-(1R,2S)-4-aminocyclopentane-1,2-diol;hydrochloride?
The canonical SMILES for cis-(1R,2S)-4-aminocyclopentane-1,2-diol;hydrochloride is Cl.NC1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of cis-(1R,2S)-4-aminocyclopentane-1,2-diol;hydrochloride?
The InChIKey is VAAWFGANNVMGPH-RSCCPHMWSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c6-3-1-4(7)5(8)2-3;/h3-5,7-8H,1-2,6H2;1H/t3?,4-,5+;.
What are the key properties of cis-(1R,2S)-4-aminocyclopentane-1,2-diol;hydrochloride?
cis-(1R,2S)-4-aminocyclopentane-1,2-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 cis-(1R,2S)-4-aminocyclopentane-1,2-diol;hydrochloride is sourced from PubChem (CID 118994205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).