tert-butyl 2-[1-[methyl(propan-2-yl)amino]ethenyl]morpholine-4-carboxylate

C15H28N2O3 — CID 123976217

IUPACtert-butyl 2-[1-[methyl(propan-2-yl)amino]ethenyl]morpholine-4-carboxylate
SMILESC=C(C1CN(C(=O)OC(C)(C)C)CCO1)N(C)C(C)C
InChIInChI=1S/C15H28N2O3/c1-11(2)16(7)12(3)13-10-17(8-9-19-13)14(18)20-15(4,5)6/h11,13H,3,8-10H2,1-2,4-7H3
InChIKeyRXGCZOSFWUTIEJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.48
Rot. Bonds3

About tert-butyl 2-[1-[methyl(propan-2-yl)amino]ethenyl]morpholine-4-carboxylate

tert-butyl 2-[1-[methyl(propan-2-yl)amino]ethenyl]morpholine-4-carboxylate (PubChem CID 123976217) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl 2-[1-[methyl(propan-2-yl)amino]ethenyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[1-[methyl(propan-2-yl)amino]ethenyl]morpholine-4-carboxylate
PubChem CID123976217
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl 2-[1-[methyl(propan-2-yl)amino]ethenyl]morpholine-4-carboxylate
SMILESC=C(C1CN(C(=O)OC(C)(C)C)CCO1)N(C)C(C)C
InChIInChI=1S/C15H28N2O3/c1-11(2)16(7)12(3)13-10-17(8-9-19-13)14(18)20-15(4,5)6/h11,13H,3,8-10H2,1-2,4-7H3
InChIKeyRXGCZOSFWUTIEJ-UHFFFAOYSA-N
XLogP2.48
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

lithium (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 134859282
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylate
CID 35549476
tert-butyl 2-(2-ethoxyprop-2-enoyl)morpholine-4-carboxylate
CID 162741113
tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate
CID 59494690
tert-butyl 2-(2,2-dicyano-1-methoxyethenyl)morpholine-4-carboxylate
CID 178068955
tert-butyl 2-(5-methoxypentanoyl)morpholine-4-carboxylate
CID 57449676
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 75448497
tert-butyl 2-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]morpholine-4-carboxylate
CID 126823150
tert-butyl 2-(3-fluorobenzoyl)morpholine-4-carboxylate
CID 68598494
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-[methyl(propan-2-yl)amino]ethenyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[1-[methyl(propan-2-yl)amino]ethenyl]morpholine-4-carboxylate (CID 123976217) is tert-butyl 2-[1-[methyl(propan-2-yl)amino]ethenyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[1-[methyl(propan-2-yl)amino]ethenyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[1-[methyl(propan-2-yl)amino]ethenyl]morpholine-4-carboxylate is C=C(C1CN(C(=O)OC(C)(C)C)CCO1)N(C)C(C)C.
What is the InChIKey of tert-butyl 2-[1-[methyl(propan-2-yl)amino]ethenyl]morpholine-4-carboxylate?
The InChIKey is RXGCZOSFWUTIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)16(7)12(3)13-10-17(8-9-19-13)14(18)20-15(4,5)6/h11,13H,3,8-10H2,1-2,4-7H3.
What are the key properties of tert-butyl 2-[1-[methyl(propan-2-yl)amino]ethenyl]morpholine-4-carboxylate?
tert-butyl 2-[1-[methyl(propan-2-yl)amino]ethenyl]morpholine-4-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-[methyl(propan-2-yl)amino]ethenyl]morpholine-4-carboxylate is sourced from PubChem (CID 123976217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).