tert-butyl 5-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate

C12H23NO4 — CID 50999118

IUPACtert-butyl 5-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C)(C)OCC1CO
InChIInChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-8-12(4,5)16-7-9(13)6-14/h9,14H,6-8H2,1-5H3
InChIKeyYOYWIKXSQOIMTP-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.39
Rot. Bonds1

About tert-butyl 5-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate

tert-butyl 5-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate (PubChem CID 50999118) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl 5-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate
PubChem CID50999118
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nametert-butyl 5-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C)(C)OCC1CO
InChIInChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-8-12(4,5)16-7-9(13)6-14/h9,14H,6-8H2,1-5H3
InChIKeyYOYWIKXSQOIMTP-UHFFFAOYSA-N
XLogP1.39
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 2-(hydroxymethyl)morpholine-4-carboxylate
CID 5201202
(R)-4-Hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
CID 11053464
4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid
CID 2760133
tert-butyl (4R,5R)-4-(hydroxymethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 10944693
(S)-4-Hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
CID 11053463
Tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate
CID 50987509
(3S)-4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid
CID 1512537
(3R)-4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid
CID 1512538
(R)-N-Boc-2-hydroxymethylmorpholine
CID 1512576
tert-Butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 1512577
(S)-Tert-butyl 3-(hydroxymethyl)morpholine-4-carboxylate
CID 1514266
tert-Butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate
CID 1514267

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl 5-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate (CID 50999118) is tert-butyl 5-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 5-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl 5-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate is CC(C)(C)OC(=O)N1CC(C)(C)OCC1CO.
What is the InChIKey of tert-butyl 5-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate?
The InChIKey is YOYWIKXSQOIMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-8-12(4,5)16-7-9(13)6-14/h9,14H,6-8H2,1-5H3.
What are the key properties of tert-butyl 5-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate?
tert-butyl 5-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate is sourced from PubChem (CID 50999118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).