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

C9H13NO5 — CID 10976834

IUPACtert-butyl (4S)-4-methyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate
SMILESC[C@H]1C(=O)OC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C9H13NO5/c1-5-6(11)14-7(12)10(5)8(13)15-9(2,3)4/h5H,1-4H3/t5-/m0/s1
InChIKeyUNPJIXJNLUVVRF-YFKPBYRVSA-N
MW215.20 g/mol
LogP1.29
Rot. Bonds

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

tert-butyl (4S)-4-methyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate (PubChem CID 10976834) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is tert-butyl (4S)-4-methyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-methyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate
PubChem CID10976834
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Nametert-butyl (4S)-4-methyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate
SMILESC[C@H]1C(=O)OC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C9H13NO5/c1-5-6(11)14-7(12)10(5)8(13)15-9(2,3)4/h5H,1-4H3/t5-/m0/s1
InChIKeyUNPJIXJNLUVVRF-YFKPBYRVSA-N
XLogP1.29
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.29
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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Related Compounds

tert-Butyl (4S)-4-isopropyl-2,5-dioxo-1,3-oxazolidin-3-carboxylate
CID 11064599
(L)-3,4-dimethyl-1,3-oxazolidine-2,5-dione
CID 54448435
1-tert-butyl 5-methyl (5R)-3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate
CID 10730990
(4S)-N-tert-Butyloxycarbonyl4-isopropyl-1,3-oxazolidin-5-one
CID 10998777
(4S)-N-tert-butoxycarbonyl-4-methyl-5-oxazolidinone
CID 12084899
tert-Butyl 5-oxooxazolidine-3-carboxylate
CID 20628126
(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione
CID 59001744
Boc-L-SeZ-OH
CID 132519332
Tert-butyl 2,5-dioxo-4-prop-2-ynyl-1,3-oxazolidine-3-carboxylate
CID 91987653
N-t-Butoxycarbonyl-4-methyl-1,3-oxazolidine-2-one, 17
CID 131167912
tert-butyl (4S)-2,5-dioxo-4-prop-2-ynyl-1,3-oxazolidine-3-carboxylate
CID 135053868
tert-Butyl 4,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 139068685

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-methyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-methyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate (CID 10976834) is tert-butyl (4S)-4-methyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-methyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-methyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate is C[C@H]1C(=O)OC(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-methyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is UNPJIXJNLUVVRF-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H13NO5/c1-5-6(11)14-7(12)10(5)8(13)15-9(2,3)4/h5H,1-4H3/t5-/m0/s1.
What are the key properties of tert-butyl (4S)-4-methyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-methyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 215.20 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-methyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10976834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).