(4S,5S)-3-amino-5-ethyl-4-methyl-1,3-oxazolidin-2-one

C6H12N2O2 — CID 71387380

IUPAC(4S,5S)-3-amino-5-ethyl-4-methyl-1,3-oxazolidin-2-one
SMILESCC[C@@H]1OC(=O)N(N)[C@H]1C
InChIInChI=1S/C6H12N2O2/c1-3-5-4(2)8(7)6(9)10-5/h4-5H,3,7H2,1-2H3/t4-,5-/m0/s1
InChIKeyXLNZPWIHHYBLNL-WHFBIAKZSA-N
MW144.17 g/mol
LogP0.48
Rot. Bonds1

About (4S,5S)-3-amino-5-ethyl-4-methyl-1,3-oxazolidin-2-one

(4S,5S)-3-amino-5-ethyl-4-methyl-1,3-oxazolidin-2-one (PubChem CID 71387380) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (4S,5S)-3-amino-5-ethyl-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-3-amino-5-ethyl-4-methyl-1,3-oxazolidin-2-one
PubChem CID71387380
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(4S,5S)-3-amino-5-ethyl-4-methyl-1,3-oxazolidin-2-one
SMILESCC[C@@H]1OC(=O)N(N)[C@H]1C
InChIInChI=1S/C6H12N2O2/c1-3-5-4(2)8(7)6(9)10-5/h4-5H,3,7H2,1-2H3/t4-,5-/m0/s1
InChIKeyXLNZPWIHHYBLNL-WHFBIAKZSA-N
XLogP0.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-amino-5-ethyl-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-3-amino-5-ethyl-4-methyl-1,3-oxazolidin-2-one (CID 71387380) is (4S,5S)-3-amino-5-ethyl-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-3-amino-5-ethyl-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-3-amino-5-ethyl-4-methyl-1,3-oxazolidin-2-one is CC[C@@H]1OC(=O)N(N)[C@H]1C.
What is the InChIKey of (4S,5S)-3-amino-5-ethyl-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is XLNZPWIHHYBLNL-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-5-4(2)8(7)6(9)10-5/h4-5H,3,7H2,1-2H3/t4-,5-/m0/s1.
What are the key properties of (4S,5S)-3-amino-5-ethyl-4-methyl-1,3-oxazolidin-2-one?
(4S,5S)-3-amino-5-ethyl-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 144.17 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-amino-5-ethyl-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71387380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).