(3S)-3-aminooxolan-2-one;hydrochloride

C4H8ClNO2 — CID 2733667

IUPAC(3S)-3-aminooxolan-2-one;hydrochloride
SMILESCl.N[C@H]1CCOC1=O
InChIInChI=1S/C4H7NO2.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H/t3-;/m0./s1
InChIKeyXBKCXPRYTLOQKS-DFWYDOINSA-N
MW137.57 g/mol
LogP-0.32
Rot. Bonds

About (3S)-3-aminooxolan-2-one;hydrochloride

(3S)-3-aminooxolan-2-one;hydrochloride (PubChem CID 2733667) has the molecular formula C4H8ClNO2 and a molecular weight of 137.57 g/mol. Its IUPAC name is (3S)-3-aminooxolan-2-one;hydrochloride.

Molecular Properties

Compound Name(3S)-3-aminooxolan-2-one;hydrochloride
PubChem CID2733667
Molecular FormulaC4H8ClNO2
Molecular Weight137.57 g/mol
Exact Mass137.02
IUPAC Name(3S)-3-aminooxolan-2-one;hydrochloride
SMILESCl.N[C@H]1CCOC1=O
InChIInChI=1S/C4H7NO2.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H/t3-;/m0./s1
InChIKeyXBKCXPRYTLOQKS-DFWYDOINSA-N
XLogP-0.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.57
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminooxolan-2-one;hydrochloride?
The IUPAC name of (3S)-3-aminooxolan-2-one;hydrochloride (CID 2733667) is (3S)-3-aminooxolan-2-one;hydrochloride.
What is the SMILES notation for (3S)-3-aminooxolan-2-one;hydrochloride?
The canonical SMILES for (3S)-3-aminooxolan-2-one;hydrochloride is Cl.N[C@H]1CCOC1=O.
What is the InChIKey of (3S)-3-aminooxolan-2-one;hydrochloride?
The InChIKey is XBKCXPRYTLOQKS-DFWYDOINSA-N. The full InChI is InChI=1S/C4H7NO2.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H/t3-;/m0./s1.
What are the key properties of (3S)-3-aminooxolan-2-one;hydrochloride?
(3S)-3-aminooxolan-2-one;hydrochloride has a molecular weight of 137.57 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminooxolan-2-one;hydrochloride is sourced from PubChem (CID 2733667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).