tert-butyl 3-cyclopropyl-3-formylmorpholine-4-carboxylate

C13H21NO4 — CID 155970645

IUPACtert-butyl 3-cyclopropyl-3-formylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1(C=O)C1CC1
InChIInChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-6-7-17-9-13(14,8-15)10-4-5-10/h8,10H,4-7,9H2,1-3H3
InChIKeyAQMLNLXSWYNNBB-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.60
Rot. Bonds2

About tert-butyl 3-cyclopropyl-3-formylmorpholine-4-carboxylate

tert-butyl 3-cyclopropyl-3-formylmorpholine-4-carboxylate (PubChem CID 155970645) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is tert-butyl 3-cyclopropyl-3-formylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-cyclopropyl-3-formylmorpholine-4-carboxylate
PubChem CID155970645
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Nametert-butyl 3-cyclopropyl-3-formylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1(C=O)C1CC1
InChIInChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-6-7-17-9-13(14,8-15)10-4-5-10/h8,10H,4-7,9H2,1-3H3
InChIKeyAQMLNLXSWYNNBB-UHFFFAOYSA-N
XLogP1.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
CID 22309142
tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate;hydrochloride
CID 146026801
tert-butyl 2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 110624369
tert-butyl 3-(aminomethyl)-2-methyl-8-oxa-2,5-diazaspiro[3.5]nonane-5-carboxylate
CID 175741447
tert-butyl 3,3-dibenzylmorpholine-4-carboxylate
CID 70061037
tert-butyl 1-(2,2,2-trifluoroacetyl)-4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 88544966
tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate
CID 54758971
tert-butyl (6S)-6-hydroxy-6-methyl-1,4-oxazepane-4-carboxylate
CID 125117343
tert-butyl (1S)-1-methyl-7-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate
CID 156758119
tert-butyl 6-(2-hydroxypropan-2-yl)-6-methyl-1,4-oxazepane-4-carboxylate
CID 157175899
6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid
CID 155895331
tert-butyl 5-(2-hydroxyethyl)-1,4-oxazepane-4-carboxylate
CID 141310875

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-cyclopropyl-3-formylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-cyclopropyl-3-formylmorpholine-4-carboxylate (CID 155970645) is tert-butyl 3-cyclopropyl-3-formylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-cyclopropyl-3-formylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-cyclopropyl-3-formylmorpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1(C=O)C1CC1.
What is the InChIKey of tert-butyl 3-cyclopropyl-3-formylmorpholine-4-carboxylate?
The InChIKey is AQMLNLXSWYNNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-6-7-17-9-13(14,8-15)10-4-5-10/h8,10H,4-7,9H2,1-3H3.
What are the key properties of tert-butyl 3-cyclopropyl-3-formylmorpholine-4-carboxylate?
tert-butyl 3-cyclopropyl-3-formylmorpholine-4-carboxylate has a molecular weight of 255.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-cyclopropyl-3-formylmorpholine-4-carboxylate is sourced from PubChem (CID 155970645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).