tert-butyl (4S)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C14H25NO3 — CID 23631407

IUPACtert-butyl (4S)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=C[C@H](C)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-8-10(2)11-9-17-14(6,7)15(11)12(16)18-13(3,4)5/h8,10-11H,1,9H2,2-7H3/t10-,11+/m0/s1
InChIKeyGNOQIUHJQNUVMJ-WDEREUQCSA-N
MW255.36 g/mol
LogP3.18
Rot. Bonds2

About tert-butyl (4S)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 23631407) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID23631407
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl (4S)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=C[C@H](C)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-8-10(2)11-9-17-14(6,7)15(11)12(16)18-13(3,4)5/h8,10-11H,1,9H2,2-7H3/t10-,11+/m0/s1
InChIKeyGNOQIUHJQNUVMJ-WDEREUQCSA-N
XLogP3.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.18
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
(S)-4-isopropyl-3-(4-pentenoyl)-oxazolidin-2-one
CID 11820460
Tert-butyl 2,2-dimethyl-4-vinyloxazolidine-3-carboxylate
CID 13905152
tert-butyl (4R)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine-3-carboxylate
CID 90196773
tert-Butyl-(4S)-4-(1-fluoroprop-2-en-1-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 57801768
Tert-butyl 3-fluoro-4-pent-4-enoxypyrrolidine-1-carboxylate
CID 172275791
tert-butyl (3R,4S)-3-fluoro-4-pent-4-enoxypyrrolidine-1-carboxylate
CID 172276096
tert-butyl (3S,4S)-3-fluoro-4-pent-4-enoxypyrrolidine-1-carboxylate
CID 172276199
tert-butyl (3R,4R)-3-fluoro-4-pent-4-enoxypyrrolidine-1-carboxylate
CID 172276450
(4R,5R)-5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 101807711
3-Hex-5-en-3-yl-1,3-oxazolidin-2-one
CID 10678717
(4S)-3-[(E)-hept-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11160463

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 23631407) is tert-butyl (4S)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C=C[C@H](C)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is GNOQIUHJQNUVMJ-WDEREUQCSA-N. The full InChI is InChI=1S/C14H25NO3/c1-8-10(2)11-9-17-14(6,7)15(11)12(16)18-13(3,4)5/h8,10-11H,1,9H2,2-7H3/t10-,11+/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 23631407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).