tert-butyl (4S)-4-benzyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate

C15H17NO5 — CID 10935183

IUPACtert-butyl (4S)-4-benzyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)OC(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H17NO5/c1-15(2,3)21-14(19)16-11(12(17)20-13(16)18)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1
InChIKeyMFGBEMRROYABSH-NSHDSACASA-N
MW291.30 g/mol
LogP2.51
Rot. Bonds2

About tert-butyl (4S)-4-benzyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-benzyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate (PubChem CID 10935183) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is tert-butyl (4S)-4-benzyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-benzyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate
PubChem CID10935183
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Nametert-butyl (4S)-4-benzyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)OC(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H17NO5/c1-15(2,3)21-14(19)16-11(12(17)20-13(16)18)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1
InChIKeyMFGBEMRROYABSH-NSHDSACASA-N
XLogP2.51
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 tert-butyl (4S)-4-benzyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-benzyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate (CID 10935183) is tert-butyl (4S)-4-benzyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-benzyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-benzyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(=O)OC(=O)[C@@H]1Cc1ccccc1.
What is the InChIKey of tert-butyl (4S)-4-benzyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is MFGBEMRROYABSH-NSHDSACASA-N. The full InChI is InChI=1S/C15H17NO5/c1-15(2,3)21-14(19)16-11(12(17)20-13(16)18)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1.
What are the key properties of tert-butyl (4S)-4-benzyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-benzyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 291.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-benzyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10935183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).