tert-butyl (3R)-3-(3-hydroxyprop-1-enyl)morpholine-4-carboxylate

C12H21NO4 — CID 54262163

IUPACtert-butyl (3R)-3-(3-hydroxyprop-1-enyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC[C@H]1C=CCO
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-6-8-16-9-10(13)5-4-7-14/h4-5,10,14H,6-9H2,1-3H3/t10-/m1/s1
InChIKeyREGLHSDDRYOONZ-SNVBAGLBSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds2

About tert-butyl (3R)-3-(3-hydroxyprop-1-enyl)morpholine-4-carboxylate

tert-butyl (3R)-3-(3-hydroxyprop-1-enyl)morpholine-4-carboxylate (PubChem CID 54262163) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is tert-butyl (3R)-3-(3-hydroxyprop-1-enyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(3-hydroxyprop-1-enyl)morpholine-4-carboxylate
PubChem CID54262163
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nametert-butyl (3R)-3-(3-hydroxyprop-1-enyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC[C@H]1C=CCO
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-6-8-16-9-10(13)5-4-7-14/h4-5,10,14H,6-9H2,1-3H3/t10-/m1/s1
InChIKeyREGLHSDDRYOONZ-SNVBAGLBSA-N
XLogP1.17
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.17
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

3-Hydroxy-1,2,3,6-tetrahydropyridine, N-BOC protected
CID 17750131
(R)-tert-Butyl 4-(3-hydroxyprop-1-en-1-yl)-2,2-dimethyloxazolidine-3-carboxylate
CID 11448263
tert-butyl (3S)-3-hydroxy-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 11367638
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-[(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
(S)-tert-Butyl 4-(3-hydroxyprop-1-en-1-yl)-2,2-dimethyloxazolidine-3-carboxylate
CID 14660985
(S,Z)-Tert-butyl 4-(3-hydroxyprop-1-EN-1-YL)-2,2-dimethyloxazolidine-3-carboxylate
CID 14660986
tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 24854143
tert-butyl (4R)-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 57326052

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(3-hydroxyprop-1-enyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(3-hydroxyprop-1-enyl)morpholine-4-carboxylate (CID 54262163) is tert-butyl (3R)-3-(3-hydroxyprop-1-enyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(3-hydroxyprop-1-enyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(3-hydroxyprop-1-enyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC[C@H]1C=CCO.
What is the InChIKey of tert-butyl (3R)-3-(3-hydroxyprop-1-enyl)morpholine-4-carboxylate?
The InChIKey is REGLHSDDRYOONZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-6-8-16-9-10(13)5-4-7-14/h4-5,10,14H,6-9H2,1-3H3/t10-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(3-hydroxyprop-1-enyl)morpholine-4-carboxylate?
tert-butyl (3R)-3-(3-hydroxyprop-1-enyl)morpholine-4-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(3-hydroxyprop-1-enyl)morpholine-4-carboxylate is sourced from PubChem (CID 54262163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).