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

C13H23NO3 — CID 11425007

IUPACtert-butyl (4R)-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-/m1/s1
InChIKeyHPCPFFAFEZSLCK-GQYWMQPJSA-N
MW241.33 g/mol
LogP2.93
Rot. Bonds1

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

tert-butyl (4R)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 11425007) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl (4R)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate
PubChem CID11425007
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl (4R)-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-/m1/s1
InChIKeyHPCPFFAFEZSLCK-GQYWMQPJSA-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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Related Compounds

(4R)-2,2-Dimethyl-4-vinyloxazolidine-3-carboxylic acid tert-butyl ester
CID 10878894
tert-butyl 2-(hydroxymethyl)-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 11095619
(S,E)-tert-butyl 4-(3-ethoxy-3-oxoprop-1-enyl)-2,2-dimethyloxazolidine-3-carboxylate
CID 10732902
1,1-Dimethylethyl (4R)-4-(2,2-dibromoethenyl)-2,2-dimethyl-3-oxazolidinecarboxylate
CID 11731777
tert-butyl (4R)-4-[(E)-2-bromo-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 139264117
tert-butyl (4R)-4-[(Z)-2-bromo-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 139264118
tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate
CID 10697188
tert-butyl (4R)-4-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10807963
tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-trimethylsilylethenyl]-1,3-oxazolidine-3-carboxylate
CID 11141095
tert-butyl (4S)-4-(3-bromopropa-1,2-dienyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11141669
(R)-tert-Butyl 4-(3-hydroxyprop-1-en-1-yl)-2,2-dimethyloxazolidine-3-carboxylate
CID 11448263
tert-butyl (4R)-4-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11312592

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate (CID 11425007) is tert-butyl (4R)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-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 (4R)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is HPCPFFAFEZSLCK-GQYWMQPJSA-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-/m1/s1.
What are the key properties of tert-butyl (4R)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-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 (4R)-2,2-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11425007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).