tert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate

C12H23NO4 — CID 155289654

IUPACtert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(C)(C)O
InChIInChI=1S/C12H23NO4/c1-11(2,3)17-10(14)13-6-7-16-8-9(13)12(4,5)15/h9,15H,6-8H2,1-5H3
InChIKeyKXWVSUIVBYXHLP-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.39
Rot. Bonds1

About tert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate

tert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate (PubChem CID 155289654) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate
PubChem CID155289654
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nametert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(C)(C)O
InChIInChI=1S/C12H23NO4/c1-11(2,3)17-10(14)13-6-7-16-8-9(13)12(4,5)15/h9,15H,6-8H2,1-5H3
InChIKeyKXWVSUIVBYXHLP-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 3-[(1-aminocyclopropyl)-difluoromethyl]morpholine-4-carboxylate
CID 146014008
tert-butyl 3-(2,2-dimethylpropanoyl)morpholine-4-carboxylate
CID 103553976
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306
tert-butyl (3R)-3-(5H-tetrazol-5-yl)morpholine-4-carboxylate
CID 129389337
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propanoic acid
CID 53425042
tert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 58442877
tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate
CID 22309118
tert-butyl 3-(2-cyanoacetyl)morpholine-4-carboxylate
CID 76668092
tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate
CID 107249604
4-[(3R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]benzoic acid
CID 167734448
tert-butyl 3-nonanoylmorpholine-4-carboxylate
CID 103554093

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate (CID 155289654) is tert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1C(C)(C)O.
What is the InChIKey of tert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate?
The InChIKey is KXWVSUIVBYXHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-11(2,3)17-10(14)13-6-7-16-8-9(13)12(4,5)15/h9,15H,6-8H2,1-5H3.
What are the key properties of tert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate?
tert-butyl 3-(2-hydroxypropan-2-yl)morpholine-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 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate is sourced from PubChem (CID 155289654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).