tert-butyl (3S)-3-ethylmorpholine-4-carboxylate

C11H21NO3 — CID 135215862

IUPACtert-butyl (3S)-3-ethylmorpholine-4-carboxylate
SMILESCC[C@H]1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-5-9-8-14-7-6-12(9)10(13)15-11(2,3)4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyGVBUMWQQDKDTPJ-VIFPVBQESA-N
MW215.29 g/mol
LogP2.03
Rot. Bonds1

About tert-butyl (3S)-3-ethylmorpholine-4-carboxylate

tert-butyl (3S)-3-ethylmorpholine-4-carboxylate (PubChem CID 135215862) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl (3S)-3-ethylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-ethylmorpholine-4-carboxylate
PubChem CID135215862
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl (3S)-3-ethylmorpholine-4-carboxylate
SMILESCC[C@H]1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-5-9-8-14-7-6-12(9)10(13)15-11(2,3)4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyGVBUMWQQDKDTPJ-VIFPVBQESA-N
XLogP2.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propanoic acid
CID 53425042
tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate
CID 134168093
tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate
CID 165438860
tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate
CID 107249604
tert-butyl 3-[2-(4-methylphenyl)-2-oxoethyl]morpholine-4-carboxylate
CID 104855099
2-hydroxyethyl 3-ethylmorpholine-4-carboxylate
CID 79349487
tert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate
CID 155289654
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
tert-butyl 3-[2-[(2-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855310
(2S)-2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pentanoic acid
CID 170738312
2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pentanoic acid
CID 174175731

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-ethylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl (3S)-3-ethylmorpholine-4-carboxylate (CID 135215862) is tert-butyl (3S)-3-ethylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-ethylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-ethylmorpholine-4-carboxylate is CC[C@H]1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3S)-3-ethylmorpholine-4-carboxylate?
The InChIKey is GVBUMWQQDKDTPJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-9-8-14-7-6-12(9)10(13)15-11(2,3)4/h9H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of tert-butyl (3S)-3-ethylmorpholine-4-carboxylate?
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-ethylmorpholine-4-carboxylate is sourced from PubChem (CID 135215862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).