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

C14H25NO4 — CID 57326052

IUPACtert-butyl (4R)-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC/C(=C/[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)CO
InChIInChI=1S/C14H25NO4/c1-10(8-16)7-11-9-18-14(5,6)15(11)12(17)19-13(2,3)4/h7,11,16H,8-9H2,1-6H3/b10-7-/t11-/m1/s1
InChIKeyKBOXZJJQTCFXEA-ZJRUKIMVSA-N
MW271.36 g/mol
LogP2.30
Rot. Bonds2

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

tert-butyl (4R)-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 57326052) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID57326052
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl (4R)-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC/C(=C/[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)CO
InChIInChI=1S/C14H25NO4/c1-10(8-16)7-11-9-18-14(5,6)15(11)12(17)19-13(2,3)4/h7,11,16H,8-9H2,1-6H3/b10-7-/t11-/m1/s1
InChIKeyKBOXZJJQTCFXEA-ZJRUKIMVSA-N
XLogP2.30
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(hydroxymethyl)-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 11095619
(R)-tert-Butyl 4-(3-hydroxyprop-1-en-1-yl)-2,2-dimethyloxazolidine-3-carboxylate
CID 11448263
(S)-Tert-butyl 2-(hydroxymethyl)-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 11790194
(E)-3-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]prop-2-enoic acid
CID 134963703
tert-butyl (4R)-4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 638937
tert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 22298066
tert-butyl (4S)-4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 12072725
tert-butyl (4S)-4-[(Z)-3-fluoro-4-hydroxybut-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59883079
tert-butyl (4S)-4-(3-fluoro-4-hydroxybut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91358930
tert-butyl (4S)-4-[(E)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 140456858
tert-butyl (4R)-4-(2-fluoro-3-hydroxyprop-1-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 141555661
1,1-Dimethylethyl (4S)-2,2-dimethyl-4-(1Z)-1-propen-1-yl-3-oxazolidinecarboxylate
CID 11107506

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 57326052) is tert-butyl (4R)-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C/C(=C/[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)CO.
What is the InChIKey of tert-butyl (4R)-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is KBOXZJJQTCFXEA-ZJRUKIMVSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(8-16)7-11-9-18-14(5,6)15(11)12(17)19-13(2,3)4/h7,11,16H,8-9H2,1-6H3/b10-7-/t11-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 57326052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).