(4S)-3,4-dimethyl-1,3-oxazolidine-2,5-dione;(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione

C10H14N2O6 — CID 161163194

IUPAC(4S)-3,4-dimethyl-1,3-oxazolidine-2,5-dione;(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione
SMILESC[C@@H]1C(=O)OC(=O)N1C.C[C@H]1C(=O)OC(=O)N1C
InChIInChI=1S/2C5H7NO3/c2*1-3-4(7)9-5(8)6(3)2/h2*3H,1-2H3/t2*3-/m10/s1
InChIKeyUQEPFLASEIMMMB-OASOTCBPSA-N
MW258.23 g/mol
LogP-0.03
Rot. Bonds

About (4S)-3,4-dimethyl-1,3-oxazolidine-2,5-dione;(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione

(4S)-3,4-dimethyl-1,3-oxazolidine-2,5-dione;(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione (PubChem CID 161163194) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is (4S)-3,4-dimethyl-1,3-oxazolidine-2,5-dione;(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name(4S)-3,4-dimethyl-1,3-oxazolidine-2,5-dione;(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione
PubChem CID161163194
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Name(4S)-3,4-dimethyl-1,3-oxazolidine-2,5-dione;(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione
SMILESC[C@@H]1C(=O)OC(=O)N1C.C[C@H]1C(=O)OC(=O)N1C
InChIInChI=1S/2C5H7NO3/c2*1-3-4(7)9-5(8)6(3)2/h2*3H,1-2H3/t2*3-/m10/s1
InChIKeyUQEPFLASEIMMMB-OASOTCBPSA-N
XLogP-0.03
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-3,4-dimethyl-1,3-oxazolidine-2,5-dione;(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione?
The IUPAC name of (4S)-3,4-dimethyl-1,3-oxazolidine-2,5-dione;(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione (CID 161163194) is (4S)-3,4-dimethyl-1,3-oxazolidine-2,5-dione;(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for (4S)-3,4-dimethyl-1,3-oxazolidine-2,5-dione;(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for (4S)-3,4-dimethyl-1,3-oxazolidine-2,5-dione;(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione is C[C@@H]1C(=O)OC(=O)N1C.C[C@H]1C(=O)OC(=O)N1C.
What is the InChIKey of (4S)-3,4-dimethyl-1,3-oxazolidine-2,5-dione;(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione?
The InChIKey is UQEPFLASEIMMMB-OASOTCBPSA-N. The full InChI is InChI=1S/2C5H7NO3/c2*1-3-4(7)9-5(8)6(3)2/h2*3H,1-2H3/t2*3-/m10/s1.
What are the key properties of (4S)-3,4-dimethyl-1,3-oxazolidine-2,5-dione;(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione?
(4S)-3,4-dimethyl-1,3-oxazolidine-2,5-dione;(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione has a molecular weight of 258.23 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,4-dimethyl-1,3-oxazolidine-2,5-dione;(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 161163194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).