tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

C16H27NO5 — CID 58297744

IUPACtert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC(OC(C)=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO5/c1-9-12(20-11(3)18)13-10(2)21-16(7,8)17(13)14(19)22-15(4,5)6/h9-10,12-13H,1H2,2-8H3/t10-,12?,13+/m0/s1
InChIKeyGPFCOEYDMZDVJT-RDWQBYKPSA-N
MW313.39 g/mol
LogP2.86
Rot. Bonds3

About tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 58297744) has the molecular formula C16H27NO5 and a molecular weight of 313.39 g/mol. Its IUPAC name is tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID58297744
Molecular FormulaC16H27NO5
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC Nametert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC(OC(C)=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO5/c1-9-12(20-11(3)18)13-10(2)21-16(7,8)17(13)14(19)22-15(4,5)6/h9-10,12-13H,1H2,2-8H3/t10-,12?,13+/m0/s1
InChIKeyGPFCOEYDMZDVJT-RDWQBYKPSA-N
XLogP2.86
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (CID 58297744) is tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is C=CC(OC(C)=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is GPFCOEYDMZDVJT-RDWQBYKPSA-N. The full InChI is InChI=1S/C16H27NO5/c1-9-12(20-11(3)18)13-10(2)21-16(7,8)17(13)14(19)22-15(4,5)6/h9-10,12-13H,1H2,2-8H3/t10-,12?,13+/m0/s1.
What are the key properties of tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 313.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5S)-4-(1-acetyloxyprop-2-enyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 58297744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).