tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate

C12H20ClNO5 — CID 165438860

IUPACtert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1CC(=O)OCCl
InChIInChI=1S/C12H20ClNO5/c1-12(2,3)19-11(16)14-4-5-17-7-9(14)6-10(15)18-8-13/h9H,4-8H2,1-3H3
InChIKeySYJIOMNQEPIDNO-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.75
Rot. Bonds3

About tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate

tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate (PubChem CID 165438860) has the molecular formula C12H20ClNO5 and a molecular weight of 293.75 g/mol. Its IUPAC name is tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate
PubChem CID165438860
Molecular FormulaC12H20ClNO5
Molecular Weight293.75 g/mol
Exact Mass293.10
IUPAC Nametert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1CC(=O)OCCl
InChIInChI=1S/C12H20ClNO5/c1-12(2,3)19-11(16)14-4-5-17-7-9(14)6-10(15)18-8-13/h9H,4-8H2,1-3H3
InChIKeySYJIOMNQEPIDNO-UHFFFAOYSA-N
XLogP1.75
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propanoic acid
CID 53425042
tert-butyl 3-[2-(4-methylphenyl)-2-oxoethyl]morpholine-4-carboxylate
CID 104855099
tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate
CID 134168093
tert-butyl 3-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104856522
tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104624433
(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
tert-butyl 3-[2-(5-bromofuran-2-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104856606
tert-butyl (3S)-3-[2-[ethyl-[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-2-oxoethyl]morpholine-4-carboxylate
CID 124882642
tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate
CID 107249604

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate (CID 165438860) is tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1CC(=O)OCCl.
What is the InChIKey of tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate?
The InChIKey is SYJIOMNQEPIDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO5/c1-12(2,3)19-11(16)14-4-5-17-7-9(14)6-10(15)18-8-13/h9H,4-8H2,1-3H3.
What are the key properties of tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate?
tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate has a molecular weight of 293.75 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate is sourced from PubChem (CID 165438860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).