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

C15H27NO4 — CID 10085341

IUPACtert-butyl (4S)-4-[(1R)-1-methoxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@@H](OC)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-8-9-12(18-7)11-10-19-15(5,6)16(11)13(17)20-14(2,3)4/h8,11-12H,1,9-10H2,2-7H3/t11-,12+/m0/s1
InChIKeyQYJBAUBZVIEXGP-NWDGAFQWSA-N
MW285.38 g/mol
LogP2.95
Rot. Bonds4

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

tert-butyl (4S)-4-[(1R)-1-methoxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10085341) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(1R)-1-methoxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(1R)-1-methoxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10085341
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl (4S)-4-[(1R)-1-methoxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@@H](OC)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-8-9-12(18-7)11-10-19-15(5,6)16(11)13(17)20-14(2,3)4/h8,11-12H,1,9-10H2,2-7H3/t11-,12+/m0/s1
InChIKeyQYJBAUBZVIEXGP-NWDGAFQWSA-N
XLogP2.95
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (4S)-4-[(1R)-1-hydroxyprop-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10777541
tert-butyl (4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10107242
tert-butyl (4S)-4-[(2S,3R)-3-ethenyloxiran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11129346
(4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one
CID 11435514
tert-butyl (4S)-4-[(1R)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10468424
tert-butyl (4R)-4-[(1R)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10801138
tert-butyl (4R)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11119194
tert-butyl (4S)-4-(1-hydroxybut-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15213827
tert-Butyl-(4S)-4-(1-fluoroprop-2-en-1-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 57801768
tert-butyl (4S)-4-[(Z)-4-fluoro-4-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 58606454
tert-butyl (2S,4S)-4-fluoro-2-(hex-5-enoxymethyl)pyrrolidine-1-carboxylate
CID 141053667
tert-butyl (4S)-4-(4-fluoro-4-hydroxybut-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 160080276

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(1R)-1-methoxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(1R)-1-methoxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 10085341) is tert-butyl (4S)-4-[(1R)-1-methoxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(1R)-1-methoxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(1R)-1-methoxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C=CC[C@@H](OC)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(1R)-1-methoxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is QYJBAUBZVIEXGP-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H27NO4/c1-8-9-12(18-7)11-10-19-15(5,6)16(11)13(17)20-14(2,3)4/h8,11-12H,1,9-10H2,2-7H3/t11-,12+/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(1R)-1-methoxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(1R)-1-methoxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 285.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(1R)-1-methoxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10085341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).