tert-butyl 3-(2-hydroxypropyl)-5-methylmorpholine-4-carboxylate

C13H25NO4 — CID 116685532

IUPACtert-butyl 3-(2-hydroxypropyl)-5-methylmorpholine-4-carboxylate
SMILESCC(O)CC1COCC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO4/c1-9-7-17-8-11(6-10(2)15)14(9)12(16)18-13(3,4)5/h9-11,15H,6-8H2,1-5H3
InChIKeyBNSDQSSLDWAJNG-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.78
Rot. Bonds2

About tert-butyl 3-(2-hydroxypropyl)-5-methylmorpholine-4-carboxylate

tert-butyl 3-(2-hydroxypropyl)-5-methylmorpholine-4-carboxylate (PubChem CID 116685532) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is tert-butyl 3-(2-hydroxypropyl)-5-methylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-hydroxypropyl)-5-methylmorpholine-4-carboxylate
PubChem CID116685532
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nametert-butyl 3-(2-hydroxypropyl)-5-methylmorpholine-4-carboxylate
SMILESCC(O)CC1COCC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO4/c1-9-7-17-8-11(6-10(2)15)14(9)12(16)18-13(3,4)5/h9-11,15H,6-8H2,1-5H3
InChIKeyBNSDQSSLDWAJNG-UHFFFAOYSA-N
XLogP1.78
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-methyl-5-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 106758302
tert-butyl 3-[2-(5-bromofuran-2-yl)-2-oxoethyl]-5-methylmorpholine-4-carboxylate
CID 104892531
tert-butyl 4-[(2S)-2-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 118469598
tert-butyl 2-[[2-hydroxypropyl(methyl)amino]methyl]-5-methylpyrrolidine-1-carboxylate
CID 172588123
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
tert-butyl 3-(2-hydroxy-4,6-dimethylcyclohexyl)-5-methylmorpholine-4-carboxylate
CID 104892553
tert-butyl 7-(aminomethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 117275876
tert-butyl 7-(sulfanylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171937337
tert-butyl (2R)-2-benzyl-5-methylpyrrolidine-1-carboxylate
CID 143159528
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl (4R)-4-(hydroxymethyl)-2-methyl-1,3-oxazolidine-3-carboxylate
CID 150151533
tert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate
CID 70015662

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-hydroxypropyl)-5-methylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(2-hydroxypropyl)-5-methylmorpholine-4-carboxylate (CID 116685532) is tert-butyl 3-(2-hydroxypropyl)-5-methylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-hydroxypropyl)-5-methylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(2-hydroxypropyl)-5-methylmorpholine-4-carboxylate is CC(O)CC1COCC(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(2-hydroxypropyl)-5-methylmorpholine-4-carboxylate?
The InChIKey is BNSDQSSLDWAJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-9-7-17-8-11(6-10(2)15)14(9)12(16)18-13(3,4)5/h9-11,15H,6-8H2,1-5H3.
What are the key properties of tert-butyl 3-(2-hydroxypropyl)-5-methylmorpholine-4-carboxylate?
tert-butyl 3-(2-hydroxypropyl)-5-methylmorpholine-4-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-hydroxypropyl)-5-methylmorpholine-4-carboxylate is sourced from PubChem (CID 116685532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).