tert-butyl (4S)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate

C13H23NO3 — CID 11107506

IUPACtert-butyl (4S)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate
SMILESC/C=C\[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-7-8-10-9-16-13(5,6)14(10)11(15)17-12(2,3)4/h7-8,10H,9H2,1-6H3/b8-7-/t10-/m0/s1
InChIKeyHPCPFFAFEZSLCK-DMEOUFDRSA-N
MW241.33 g/mol
LogP2.93
Rot. Bonds1

About tert-butyl (4S)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 11107506) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl (4S)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate
PubChem CID11107506
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl (4S)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate
SMILESC/C=C\[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-7-8-10-9-16-13(5,6)14(10)11(15)17-12(2,3)4/h7-8,10H,9H2,1-6H3/b8-7-/t10-/m0/s1
InChIKeyHPCPFFAFEZSLCK-DMEOUFDRSA-N
XLogP2.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate (CID 11107506) is tert-butyl (4S)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate is C/C=C\[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is HPCPFFAFEZSLCK-DMEOUFDRSA-N. The full InChI is InChI=1S/C13H23NO3/c1-7-8-10-9-16-13(5,6)14(10)11(15)17-12(2,3)4/h7-8,10H,9H2,1-6H3/b8-7-/t10-/m0/s1.
What are the key properties of tert-butyl (4S)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11107506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).