tert-butyl 2-[(E)-3-hydroxyprop-1-enyl]morpholine-4-carboxylate

C12H21NO4 — CID 22342631

IUPACtert-butyl 2-[(E)-3-hydroxyprop-1-enyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(/C=C/CO)C1
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-6-8-16-10(9-13)5-4-7-14/h4-5,10,14H,6-9H2,1-3H3/b5-4+
InChIKeyIUZSCTGHWCVJGD-SNAWJCMRSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds2

About tert-butyl 2-[(E)-3-hydroxyprop-1-enyl]morpholine-4-carboxylate

tert-butyl 2-[(E)-3-hydroxyprop-1-enyl]morpholine-4-carboxylate (PubChem CID 22342631) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is tert-butyl 2-[(E)-3-hydroxyprop-1-enyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(E)-3-hydroxyprop-1-enyl]morpholine-4-carboxylate
PubChem CID22342631
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nametert-butyl 2-[(E)-3-hydroxyprop-1-enyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(/C=C/CO)C1
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-6-8-16-10(9-13)5-4-7-14/h4-5,10,14H,6-9H2,1-3H3/b5-4+
InChIKeyIUZSCTGHWCVJGD-SNAWJCMRSA-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
tert-butyl (3S)-3-hydroxy-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 11367638
tert-butyl 3-acetyloxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 10879283
Tert-butyl 3-(3-hydroxyprop-1-en-1-yl)morpholine-4-carboxylate
CID 22342703
tert-butyl (3R)-3-hydroxy-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 26370393
tert-butyl (3R)-3-(3-hydroxyprop-1-enyl)morpholine-4-carboxylate
CID 54262163
(S,E)-3-(4-(tert-Butoxycarbonyl)morpholin-2-yl)acrylic acid
CID 69677670
tert-butyl (2R)-2-[(E)-3-hydroxyprop-1-enyl]morpholine-4-carboxylate
CID 69677688
tert-butyl (2S)-2-[(E)-3-hydroxyprop-1-enyl]morpholine-4-carboxylate
CID 69677689
tert-butyl (2S)-2-(3-hydroxyprop-1-enyl)morpholine-4-carboxylate
CID 69677690
(3R)-4-(tert-butoxycarbonyl)-3-[(E)-3-hydroxy-1-propenyl]morpholine
CID 69677723
3-[4-[(2-Methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]prop-2-enoic acid
CID 77691274

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(E)-3-hydroxyprop-1-enyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[(E)-3-hydroxyprop-1-enyl]morpholine-4-carboxylate (CID 22342631) is tert-butyl 2-[(E)-3-hydroxyprop-1-enyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[(E)-3-hydroxyprop-1-enyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[(E)-3-hydroxyprop-1-enyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(/C=C/CO)C1.
What is the InChIKey of tert-butyl 2-[(E)-3-hydroxyprop-1-enyl]morpholine-4-carboxylate?
The InChIKey is IUZSCTGHWCVJGD-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-6-8-16-10(9-13)5-4-7-14/h4-5,10,14H,6-9H2,1-3H3/b5-4+.
What are the key properties of tert-butyl 2-[(E)-3-hydroxyprop-1-enyl]morpholine-4-carboxylate?
tert-butyl 2-[(E)-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 2-[(E)-3-hydroxyprop-1-enyl]morpholine-4-carboxylate is sourced from PubChem (CID 22342631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).