2-[(5S)-2-oxo-1,3-oxazolidin-5-yl]propan-2-yl 2-[(2-aminoacetyl)-methylamino]acetate;hydrochloride

C11H20ClN3O5 — CID 158197858

IUPAC2-[(5S)-2-oxo-1,3-oxazolidin-5-yl]propan-2-yl 2-[(2-aminoacetyl)-methylamino]acetate;hydrochloride
SMILESCN(CC(=O)OC(C)(C)[C@@H]1CNC(=O)O1)C(=O)CN.Cl
InChIInChI=1S/C11H19N3O5.ClH/c1-11(2,7-5-13-10(17)18-7)19-9(16)6-14(3)8(15)4-12;/h7H,4-6,12H2,1-3H3,(H,13,17);1H/t7-;/m0./s1
InChIKeyOUBCHPXYMYRXLQ-FJXQXJEOSA-N
MW309.75 g/mol
LogP-0.74
Rot. Bonds5

About 2-[(5S)-2-oxo-1,3-oxazolidin-5-yl]propan-2-yl 2-[(2-aminoacetyl)-methylamino]acetate;hydrochloride

2-[(5S)-2-oxo-1,3-oxazolidin-5-yl]propan-2-yl 2-[(2-aminoacetyl)-methylamino]acetate;hydrochloride (PubChem CID 158197858) has the molecular formula C11H20ClN3O5 and a molecular weight of 309.75 g/mol. Its IUPAC name is 2-[(5S)-2-oxo-1,3-oxazolidin-5-yl]propan-2-yl 2-[(2-aminoacetyl)-methylamino]acetate;hydrochloride.

Molecular Properties

Compound Name2-[(5S)-2-oxo-1,3-oxazolidin-5-yl]propan-2-yl 2-[(2-aminoacetyl)-methylamino]acetate;hydrochloride
PubChem CID158197858
Molecular FormulaC11H20ClN3O5
Molecular Weight309.75 g/mol
Exact Mass309.11
IUPAC Name2-[(5S)-2-oxo-1,3-oxazolidin-5-yl]propan-2-yl 2-[(2-aminoacetyl)-methylamino]acetate;hydrochloride
SMILESCN(CC(=O)OC(C)(C)[C@@H]1CNC(=O)O1)C(=O)CN.Cl
InChIInChI=1S/C11H19N3O5.ClH/c1-11(2,7-5-13-10(17)18-7)19-9(16)6-14(3)8(15)4-12;/h7H,4-6,12H2,1-3H3,(H,13,17);1H/t7-;/m0./s1
InChIKeyOUBCHPXYMYRXLQ-FJXQXJEOSA-N
XLogP-0.74
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-oxo-1,3-oxazolidin-5-yl]propan-2-yl 2-[(2-aminoacetyl)-methylamino]acetate;hydrochloride?
The IUPAC name of 2-[(5S)-2-oxo-1,3-oxazolidin-5-yl]propan-2-yl 2-[(2-aminoacetyl)-methylamino]acetate;hydrochloride (CID 158197858) is 2-[(5S)-2-oxo-1,3-oxazolidin-5-yl]propan-2-yl 2-[(2-aminoacetyl)-methylamino]acetate;hydrochloride.
What is the SMILES notation for 2-[(5S)-2-oxo-1,3-oxazolidin-5-yl]propan-2-yl 2-[(2-aminoacetyl)-methylamino]acetate;hydrochloride?
The canonical SMILES for 2-[(5S)-2-oxo-1,3-oxazolidin-5-yl]propan-2-yl 2-[(2-aminoacetyl)-methylamino]acetate;hydrochloride is CN(CC(=O)OC(C)(C)[C@@H]1CNC(=O)O1)C(=O)CN.Cl.
What is the InChIKey of 2-[(5S)-2-oxo-1,3-oxazolidin-5-yl]propan-2-yl 2-[(2-aminoacetyl)-methylamino]acetate;hydrochloride?
The InChIKey is OUBCHPXYMYRXLQ-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H19N3O5.ClH/c1-11(2,7-5-13-10(17)18-7)19-9(16)6-14(3)8(15)4-12;/h7H,4-6,12H2,1-3H3,(H,13,17);1H/t7-;/m0./s1.
What are the key properties of 2-[(5S)-2-oxo-1,3-oxazolidin-5-yl]propan-2-yl 2-[(2-aminoacetyl)-methylamino]acetate;hydrochloride?
2-[(5S)-2-oxo-1,3-oxazolidin-5-yl]propan-2-yl 2-[(2-aminoacetyl)-methylamino]acetate;hydrochloride has a molecular weight of 309.75 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-oxo-1,3-oxazolidin-5-yl]propan-2-yl 2-[(2-aminoacetyl)-methylamino]acetate;hydrochloride is sourced from PubChem (CID 158197858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).