(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one;hydrochloride

C8H16ClNO3 — CID 66645730

IUPAC(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one;hydrochloride
SMILESCC[C@@H]1C[C@@H]([C@@H](N)CO)OC1=O.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-2-5-3-7(6(9)4-10)12-8(5)11;/h5-7,10H,2-4,9H2,1H3;1H/t5-,6+,7+;/m1./s1
InChIKeyAECKWZHWQDJBRQ-NLRFIBDTSA-N
MW209.67 g/mol
LogP0.07
Rot. Bonds3

About (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one;hydrochloride

(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one;hydrochloride (PubChem CID 66645730) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one;hydrochloride.

Molecular Properties

Compound Name(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one;hydrochloride
PubChem CID66645730
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Name(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one;hydrochloride
SMILESCC[C@@H]1C[C@@H]([C@@H](N)CO)OC1=O.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-2-5-3-7(6(9)4-10)12-8(5)11;/h5-7,10H,2-4,9H2,1H3;1H/t5-,6+,7+;/m1./s1
InChIKeyAECKWZHWQDJBRQ-NLRFIBDTSA-N
XLogP0.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one;hydrochloride?
The IUPAC name of (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one;hydrochloride (CID 66645730) is (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one;hydrochloride.
What is the SMILES notation for (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one;hydrochloride?
The canonical SMILES for (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one;hydrochloride is CC[C@@H]1C[C@@H]([C@@H](N)CO)OC1=O.Cl.
What is the InChIKey of (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one;hydrochloride?
The InChIKey is AECKWZHWQDJBRQ-NLRFIBDTSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-2-5-3-7(6(9)4-10)12-8(5)11;/h5-7,10H,2-4,9H2,1H3;1H/t5-,6+,7+;/m1./s1.
What are the key properties of (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one;hydrochloride?
(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one;hydrochloride is sourced from PubChem (CID 66645730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).