tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate

C11H21NO4 — CID 146664765

IUPACtert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
SMILESC[C@H]1CN(C(=O)OC(C)(C)C)CC(CO)O1
InChIInChI=1S/C11H21NO4/c1-8-5-12(6-9(7-13)15-8)10(14)16-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9?/m0/s1
InChIKeyYJPPRECNUURDRC-IENPIDJESA-N
MW231.29 g/mol
LogP1.00
Rot. Bonds1

About tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate

tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate (PubChem CID 146664765) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
PubChem CID146664765
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
SMILESC[C@H]1CN(C(=O)OC(C)(C)C)CC(CO)O1
InChIInChI=1S/C11H21NO4/c1-8-5-12(6-9(7-13)15-8)10(14)16-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9?/m0/s1
InChIKeyYJPPRECNUURDRC-IENPIDJESA-N
XLogP1.00
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate
CID 135742569
tert-butyl (2S,6R)-2-(hydroxymethyl)-6-propan-2-ylmorpholine-4-carboxylate
CID 169228635
tert-butyl (2S)-2-(hydroxymethyl)-6-methyl-1,4-oxazepane-4-carboxylate
CID 163209490
2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 102938985
tert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate
CID 177184014
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl (3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 93077844
tert-butyl (6S)-2-formyl-6-methylmorpholine-4-carboxylate
CID 155289845
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458
tert-butyl (6R)-2-methyl-6-[(4-methylphenyl)sulfonyloxymethyl]morpholine-4-carboxylate
CID 91538126
(2R)-2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3,3-dimethylbutan-1-one
CID 102932602

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate (CID 146664765) is tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate is C[C@H]1CN(C(=O)OC(C)(C)C)CC(CO)O1.
What is the InChIKey of tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate?
The InChIKey is YJPPRECNUURDRC-IENPIDJESA-N. The full InChI is InChI=1S/C11H21NO4/c1-8-5-12(6-9(7-13)15-8)10(14)16-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9?/m0/s1.
What are the key properties of tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate?
tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate has a molecular weight of 231.29 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate is sourced from PubChem (CID 146664765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).