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

C7H14ClNO3 — CID 66645577

IUPAC(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one;hydrochloride
SMILESC[C@@H]1C[C@@H]([C@@H](N)CO)OC1=O.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-4-2-6(5(8)3-9)11-7(4)10;/h4-6,9H,2-3,8H2,1H3;1H/t4-,5+,6+;/m1./s1
InChIKeyZQHWYRRHNSJJDV-GAJRHLONSA-N
MW195.65 g/mol
LogP-0.32
Rot. Bonds2

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

(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one;hydrochloride (PubChem CID 66645577) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one;hydrochloride.

Molecular Properties

Compound Name(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one;hydrochloride
PubChem CID66645577
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one;hydrochloride
SMILESC[C@@H]1C[C@@H]([C@@H](N)CO)OC1=O.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-4-2-6(5(8)3-9)11-7(4)10;/h4-6,9H,2-3,8H2,1H3;1H/t4-,5+,6+;/m1./s1
InChIKeyZQHWYRRHNSJJDV-GAJRHLONSA-N
XLogP-0.32
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 5-0.32
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-methyloxolan-2-one;hydrochloride?
The IUPAC name of (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one;hydrochloride (CID 66645577) is (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one;hydrochloride.
What is the SMILES notation for (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one;hydrochloride?
The canonical SMILES for (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one;hydrochloride is C[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-methyloxolan-2-one;hydrochloride?
The InChIKey is ZQHWYRRHNSJJDV-GAJRHLONSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-4-2-6(5(8)3-9)11-7(4)10;/h4-6,9H,2-3,8H2,1H3;1H/t4-,5+,6+;/m1./s1.
What are the key properties of (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one;hydrochloride?
(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of -0.32, 2 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-methyloxolan-2-one;hydrochloride is sourced from PubChem (CID 66645577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).