(5S)-5-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride

C4H9ClN2O2 — CID 127263316

IUPAC(5S)-5-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.NC[C@H]1CNC(=O)O1
InChIInChI=1S/C4H8N2O2.ClH/c5-1-3-2-6-4(7)8-3;/h3H,1-2,5H2,(H,6,7);1H/t3-;/m0./s1
InChIKeyTWOFNQCERHOFJY-DFWYDOINSA-N
MW152.58 g/mol
LogP-0.52
Rot. Bonds1

About (5S)-5-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride

(5S)-5-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 127263316) has the molecular formula C4H9ClN2O2 and a molecular weight of 152.58 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID127263316
Molecular FormulaC4H9ClN2O2
Molecular Weight152.58 g/mol
Exact Mass152.04
IUPAC Name(5S)-5-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.NC[C@H]1CNC(=O)O1
InChIInChI=1S/C4H8N2O2.ClH/c5-1-3-2-6-4(7)8-3;/h3H,1-2,5H2,(H,6,7);1H/t3-;/m0./s1
InChIKeyTWOFNQCERHOFJY-DFWYDOINSA-N
XLogP-0.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (5S)-5-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride (CID 127263316) is (5S)-5-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (5S)-5-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (5S)-5-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride is Cl.NC[C@H]1CNC(=O)O1.
What is the InChIKey of (5S)-5-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is TWOFNQCERHOFJY-DFWYDOINSA-N. The full InChI is InChI=1S/C4H8N2O2.ClH/c5-1-3-2-6-4(7)8-3;/h3H,1-2,5H2,(H,6,7);1H/t3-;/m0./s1.
What are the key properties of (5S)-5-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride?
(5S)-5-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 152.58 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 127263316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).