2-(oxiran-2-ylmethylamino)acetate;hydrochloride

C5H9ClNO3- — CID 23447257

IUPAC2-(oxiran-2-ylmethylamino)acetate;hydrochloride
SMILESCl.O=C([O-])CNCC1CO1
InChIInChI=1S/C5H9NO3.ClH/c7-5(8)2-6-1-4-3-9-4;/h4,6H,1-3H2,(H,7,8);1H/p-1
InChIKeyVRVXTFZOZPGNBC-UHFFFAOYSA-M
MW166.58 g/mol
LogP-1.85
Rot. Bonds4

About 2-(oxiran-2-ylmethylamino)acetate;hydrochloride

2-(oxiran-2-ylmethylamino)acetate;hydrochloride (PubChem CID 23447257) has the molecular formula C5H9ClNO3- and a molecular weight of 166.58 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethylamino)acetate;hydrochloride.

Molecular Properties

Compound Name2-(oxiran-2-ylmethylamino)acetate;hydrochloride
PubChem CID23447257
Molecular FormulaC5H9ClNO3-
Molecular Weight166.58 g/mol
Exact Mass166.03
IUPAC Name2-(oxiran-2-ylmethylamino)acetate;hydrochloride
SMILESCl.O=C([O-])CNCC1CO1
InChIInChI=1S/C5H9NO3.ClH/c7-5(8)2-6-1-4-3-9-4;/h4,6H,1-3H2,(H,7,8);1H/p-1
InChIKeyVRVXTFZOZPGNBC-UHFFFAOYSA-M
XLogP-1.85
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.58
LogP ≤ 5-1.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethylamino)acetate;hydrochloride?
The IUPAC name of 2-(oxiran-2-ylmethylamino)acetate;hydrochloride (CID 23447257) is 2-(oxiran-2-ylmethylamino)acetate;hydrochloride.
What is the SMILES notation for 2-(oxiran-2-ylmethylamino)acetate;hydrochloride?
The canonical SMILES for 2-(oxiran-2-ylmethylamino)acetate;hydrochloride is Cl.O=C([O-])CNCC1CO1.
What is the InChIKey of 2-(oxiran-2-ylmethylamino)acetate;hydrochloride?
The InChIKey is VRVXTFZOZPGNBC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9NO3.ClH/c7-5(8)2-6-1-4-3-9-4;/h4,6H,1-3H2,(H,7,8);1H/p-1.
What are the key properties of 2-(oxiran-2-ylmethylamino)acetate;hydrochloride?
2-(oxiran-2-ylmethylamino)acetate;hydrochloride has a molecular weight of 166.58 g/mol, XLogP of -1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethylamino)acetate;hydrochloride is sourced from PubChem (CID 23447257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).