tert-butyl (4S)-5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate

C11H19NO4 — CID 10998777

IUPACtert-butyl (4S)-5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)[C@H]1C(=O)OCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-7(2)8-9(13)15-6-12(8)10(14)16-11(3,4)5/h7-8H,6H2,1-5H3/t8-/m0/s1
InChIKeyYEBBIFRHEJTLQR-QMMMGPOBSA-N
MW229.28 g/mol
LogP1.76
Rot. Bonds1

About tert-butyl (4S)-5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate (PubChem CID 10998777) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl (4S)-5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
PubChem CID10998777
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametert-butyl (4S)-5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)[C@H]1C(=O)OCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-7(2)8-9(13)15-6-12(8)10(14)16-11(3,4)5/h7-8H,6H2,1-5H3/t8-/m0/s1
InChIKeyYEBBIFRHEJTLQR-QMMMGPOBSA-N
XLogP1.76
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Boc-N-methyl-L-valine
CID 7010608
tert-Butyl (4S)-4-isopropyl-2,5-dioxo-1,3-oxazolidin-3-carboxylate
CID 11064599
3-Tert-butyl 4-methyl 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate
CID 43810963
Boc-N-Me-Dl-Val-Oh
CID 4003029
(4S)-N-tert-butoxycarbonyl-4-methyl-5-oxazolidinone
CID 12084899
methyl (2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-4-methylpentanoate
CID 15655825
3-tert-Butyl 4-methyl (4R,5R)-2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate
CID 39871801
ethyl (2S)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoate
CID 101053580
fluoro (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 156509256
Methyl n-(tert-butoxycarbonyl)-n-methylvalinate
CID 282056
N-Boc-N-methyl-L-valine methyl ester
CID 15655826
Methyl 3-methyl-2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]butanoate
CID 156314307

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate (CID 10998777) is tert-butyl (4S)-5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate is CC(C)[C@H]1C(=O)OCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The InChIKey is YEBBIFRHEJTLQR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7(2)8-9(13)15-6-12(8)10(14)16-11(3,4)5/h7-8H,6H2,1-5H3/t8-/m0/s1.
What are the key properties of tert-butyl (4S)-5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-5-oxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10998777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).