tert-butyl 3-oxo-1,2-oxazolidine-2-carboxylate

C8H13NO4 — CID 71578432

IUPACtert-butyl 3-oxo-1,2-oxazolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1OCCC1=O
InChIInChI=1S/C8H13NO4/c1-8(2,3)13-7(11)9-6(10)4-5-12-9/h4-5H2,1-3H3
InChIKeyPGJHNNXUPDMFLR-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.09
Rot. Bonds

About tert-butyl 3-oxo-1,2-oxazolidine-2-carboxylate

tert-butyl 3-oxo-1,2-oxazolidine-2-carboxylate (PubChem CID 71578432) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is tert-butyl 3-oxo-1,2-oxazolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-oxo-1,2-oxazolidine-2-carboxylate
PubChem CID71578432
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Nametert-butyl 3-oxo-1,2-oxazolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1OCCC1=O
InChIInChI=1S/C8H13NO4/c1-8(2,3)13-7(11)9-6(10)4-5-12-9/h4-5H2,1-3H3
InChIKeyPGJHNNXUPDMFLR-UHFFFAOYSA-N
XLogP1.09
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ditert-butyl 3,6-dioxodiazinane-1,2-dicarboxylate
CID 101100447
tert-butyl 4-[5-(3-oxo-1,2-oxazolidin-2-yl)pentyl]piperidine-1-carboxylate
CID 146627420
tert-butyl oxaziridine-2-carboxylate
CID 87264596
tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 14686213
tert-butyl (2R)-2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 124704515
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 99114871
tert-butyl 4-(1,3-dioxolan-2-yl)-2-oxopyrrolidine-1-carboxylate
CID 166441567
tert-butyl (3S)-3-(cyclohexylidenemethyl)-1,2-oxazolidine-2-carboxylate
CID 134942902
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 2-oxopyrrolidine-1-carboxylate
CID 157302779
tert-butyl 2,8-dioxo-1-azaspiro[4.5]decane-1-carboxylate
CID 58574724
tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate
CID 99978734

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-oxo-1,2-oxazolidine-2-carboxylate?
The IUPAC name of tert-butyl 3-oxo-1,2-oxazolidine-2-carboxylate (CID 71578432) is tert-butyl 3-oxo-1,2-oxazolidine-2-carboxylate.
What is the SMILES notation for tert-butyl 3-oxo-1,2-oxazolidine-2-carboxylate?
The canonical SMILES for tert-butyl 3-oxo-1,2-oxazolidine-2-carboxylate is CC(C)(C)OC(=O)N1OCCC1=O.
What is the InChIKey of tert-butyl 3-oxo-1,2-oxazolidine-2-carboxylate?
The InChIKey is PGJHNNXUPDMFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-8(2,3)13-7(11)9-6(10)4-5-12-9/h4-5H2,1-3H3.
What are the key properties of tert-butyl 3-oxo-1,2-oxazolidine-2-carboxylate?
tert-butyl 3-oxo-1,2-oxazolidine-2-carboxylate has a molecular weight of 187.19 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-oxo-1,2-oxazolidine-2-carboxylate is sourced from PubChem (CID 71578432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).