(3S,4S)-4-methoxyoxolan-3-amine;hydrochloride

C5H12ClNO2 — CID 75531170

IUPAC(3S,4S)-4-methoxyoxolan-3-amine;hydrochloride
SMILESCO[C@@H]1COC[C@@H]1N.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-7-5-3-8-2-4(5)6;/h4-5H,2-3,6H2,1H3;1H/t4-,5+;/m0./s1
InChIKeyKDANNXAXAYGSFR-UYXJWNHNSA-N
MW153.61 g/mol
LogP-0.22
Rot. Bonds1

About (3S,4S)-4-methoxyoxolan-3-amine;hydrochloride

(3S,4S)-4-methoxyoxolan-3-amine;hydrochloride (PubChem CID 75531170) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is (3S,4S)-4-methoxyoxolan-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4S)-4-methoxyoxolan-3-amine;hydrochloride
PubChem CID75531170
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name(3S,4S)-4-methoxyoxolan-3-amine;hydrochloride
SMILESCO[C@@H]1COC[C@@H]1N.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-7-5-3-8-2-4(5)6;/h4-5H,2-3,6H2,1H3;1H/t4-,5+;/m0./s1
InChIKeyKDANNXAXAYGSFR-UYXJWNHNSA-N
XLogP-0.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methoxyoxolan-3-amine;hydrochloride?
The IUPAC name of (3S,4S)-4-methoxyoxolan-3-amine;hydrochloride (CID 75531170) is (3S,4S)-4-methoxyoxolan-3-amine;hydrochloride.
What is the SMILES notation for (3S,4S)-4-methoxyoxolan-3-amine;hydrochloride?
The canonical SMILES for (3S,4S)-4-methoxyoxolan-3-amine;hydrochloride is CO[C@@H]1COC[C@@H]1N.Cl.
What is the InChIKey of (3S,4S)-4-methoxyoxolan-3-amine;hydrochloride?
The InChIKey is KDANNXAXAYGSFR-UYXJWNHNSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-7-5-3-8-2-4(5)6;/h4-5H,2-3,6H2,1H3;1H/t4-,5+;/m0./s1.
What are the key properties of (3S,4S)-4-methoxyoxolan-3-amine;hydrochloride?
(3S,4S)-4-methoxyoxolan-3-amine;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methoxyoxolan-3-amine;hydrochloride is sourced from PubChem (CID 75531170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).