tert-butyl 3-(morpholine-4-carbonylamino)azetidine-1-carboxylate

C13H23N3O4 — CID 171991186

IUPACtert-butyl 3-(morpholine-4-carbonylamino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NC(=O)N2CCOCC2)C1
InChIInChI=1S/C13H23N3O4/c1-13(2,3)20-12(18)16-8-10(9-16)14-11(17)15-4-6-19-7-5-15/h10H,4-9H2,1-3H3,(H,14,17)
InChIKeyPMKUJTLMLKGPLC-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.65
Rot. Bonds1

About tert-butyl 3-(morpholine-4-carbonylamino)azetidine-1-carboxylate

tert-butyl 3-(morpholine-4-carbonylamino)azetidine-1-carboxylate (PubChem CID 171991186) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is tert-butyl 3-(morpholine-4-carbonylamino)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(morpholine-4-carbonylamino)azetidine-1-carboxylate
PubChem CID171991186
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Nametert-butyl 3-(morpholine-4-carbonylamino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NC(=O)N2CCOCC2)C1
InChIInChI=1S/C13H23N3O4/c1-13(2,3)20-12(18)16-8-10(9-16)14-11(17)15-4-6-19-7-5-15/h10H,4-9H2,1-3H3,(H,14,17)
InChIKeyPMKUJTLMLKGPLC-UHFFFAOYSA-N
XLogP0.65
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R,5S)-3-(morpholine-4-carbonyl)-5-(propylamino)piperidine-1-carboxylate
CID 58355640
tert-butyl (3S,5R)-3-(2-methylpropylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
CID 59356577
tert-butyl (3R)-3-(oxan-4-ylcarbamoylamino)pyrrolidine-1-carboxylate
CID 97212425
tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate
CID 71940585
tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 53255659
tert-butyl (3R,5S)-3-(morpholine-4-carbonyl)-5-(2-sulfanylpropylamino)piperidine-1-carboxylate
CID 151062802
tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate
CID 53256460
tert-butyl 3-[[N-ethyl-N'-(2-methyl-2-morpholin-4-ylpropyl)carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109467345
tert-butyl morpholine-4-carboxylate;propan-1-ol
CID 145379856
tert-butyl 3-[(4-methyl-2-morpholin-4-ylpentyl)amino]azetidine-1-carboxylate
CID 113231791
tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate
CID 59494690
(3S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-morpholin-4-ylpiperidine-3-carboxylic acid
CID 125457367

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(morpholine-4-carbonylamino)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(morpholine-4-carbonylamino)azetidine-1-carboxylate (CID 171991186) is tert-butyl 3-(morpholine-4-carbonylamino)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(morpholine-4-carbonylamino)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(morpholine-4-carbonylamino)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(NC(=O)N2CCOCC2)C1.
What is the InChIKey of tert-butyl 3-(morpholine-4-carbonylamino)azetidine-1-carboxylate?
The InChIKey is PMKUJTLMLKGPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-13(2,3)20-12(18)16-8-10(9-16)14-11(17)15-4-6-19-7-5-15/h10H,4-9H2,1-3H3,(H,14,17).
What are the key properties of tert-butyl 3-(morpholine-4-carbonylamino)azetidine-1-carboxylate?
tert-butyl 3-(morpholine-4-carbonylamino)azetidine-1-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(morpholine-4-carbonylamino)azetidine-1-carboxylate is sourced from PubChem (CID 171991186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).