tert-butyl 3-[[acetyl(ethyl)amino]methyl]morpholine-4-carboxylate

C14H26N2O4 — CID 66723805

IUPACtert-butyl 3-[[acetyl(ethyl)amino]methyl]morpholine-4-carboxylate
SMILESCCN(CC1COCCN1C(=O)OC(C)(C)C)C(C)=O
InChIInChI=1S/C14H26N2O4/c1-6-15(11(2)17)9-12-10-19-8-7-16(12)13(18)20-14(3,4)5/h12H,6-10H2,1-5H3
InChIKeyWRLJUJOMGPASSE-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.49
Rot. Bonds3

About tert-butyl 3-[[acetyl(ethyl)amino]methyl]morpholine-4-carboxylate

tert-butyl 3-[[acetyl(ethyl)amino]methyl]morpholine-4-carboxylate (PubChem CID 66723805) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl 3-[[acetyl(ethyl)amino]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[acetyl(ethyl)amino]methyl]morpholine-4-carboxylate
PubChem CID66723805
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl 3-[[acetyl(ethyl)amino]methyl]morpholine-4-carboxylate
SMILESCCN(CC1COCCN1C(=O)OC(C)(C)C)C(C)=O
InChIInChI=1S/C14H26N2O4/c1-6-15(11(2)17)9-12-10-19-8-7-16(12)13(18)20-14(3,4)5/h12H,6-10H2,1-5H3
InChIKeyWRLJUJOMGPASSE-UHFFFAOYSA-N
XLogP1.49
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Di-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate
CID 22458573
tert-Butyl 3-carbamoylmorpholine-4-carboxylate
CID 21098189
3-Aminomethyl-4-boc-morpholine
CID 44182325
Tert-butyl 3-methylmorpholine-4-carboxylate
CID 57960413
Tert-butyl 3-((methylamino)methyl)morpholine-4-carboxylate
CID 67090612
Hexahydro-pyrazino[2,1-c][1,4]oxazine-8-carboxylic acid tert-butyl ester
CID 112756686
2-diethylaminoethyl (2R,5S)-2,4,5-trimethylpiperazine-1-carboxylate
CID 515604
tert-Butyl 4-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate
CID 22321826
1-Azetidinecarboxylic acid, 3-(4-morpholinyl)-, 1,1-dimethylethyl ester
CID 67343295
(S)-1-tert-butyl 3-methyl 4-acetylpiperazine-1,3-dicarboxylate
CID 118252900
Tert-butyl 3-[4-(2-methoxyacetyl)piperazin-1-yl]propanoate
CID 72153716
Tert-butyl 9-propanoyl-5-oxa-2,9-diazaspiro[3.5]nonane-2-carboxylate
CID 132390547

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[acetyl(ethyl)amino]methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[[acetyl(ethyl)amino]methyl]morpholine-4-carboxylate (CID 66723805) is tert-butyl 3-[[acetyl(ethyl)amino]methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[[acetyl(ethyl)amino]methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[[acetyl(ethyl)amino]methyl]morpholine-4-carboxylate is CCN(CC1COCCN1C(=O)OC(C)(C)C)C(C)=O.
What is the InChIKey of tert-butyl 3-[[acetyl(ethyl)amino]methyl]morpholine-4-carboxylate?
The InChIKey is WRLJUJOMGPASSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-6-15(11(2)17)9-12-10-19-8-7-16(12)13(18)20-14(3,4)5/h12H,6-10H2,1-5H3.
What are the key properties of tert-butyl 3-[[acetyl(ethyl)amino]methyl]morpholine-4-carboxylate?
tert-butyl 3-[[acetyl(ethyl)amino]methyl]morpholine-4-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[acetyl(ethyl)amino]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 66723805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).