tert-butyl (6S)-2-formyl-6-methylmorpholine-4-carboxylate

C11H19NO4 — CID 155289845

IUPACtert-butyl (6S)-2-formyl-6-methylmorpholine-4-carboxylate
SMILESC[C@H]1CN(C(=O)OC(C)(C)C)CC(C=O)O1
InChIInChI=1S/C11H19NO4/c1-8-5-12(6-9(7-13)15-8)10(14)16-11(2,3)4/h7-9H,5-6H2,1-4H3/t8-,9?/m0/s1
InChIKeyMHNICJNACLMQSH-IENPIDJESA-N
MW229.28 g/mol
LogP1.21
Rot. Bonds1

About tert-butyl (6S)-2-formyl-6-methylmorpholine-4-carboxylate

tert-butyl (6S)-2-formyl-6-methylmorpholine-4-carboxylate (PubChem CID 155289845) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl (6S)-2-formyl-6-methylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (6S)-2-formyl-6-methylmorpholine-4-carboxylate
PubChem CID155289845
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametert-butyl (6S)-2-formyl-6-methylmorpholine-4-carboxylate
SMILESC[C@H]1CN(C(=O)OC(C)(C)C)CC(C=O)O1
InChIInChI=1S/C11H19NO4/c1-8-5-12(6-9(7-13)15-8)10(14)16-11(2,3)4/h7-9H,5-6H2,1-4H3/t8-,9?/m0/s1
InChIKeyMHNICJNACLMQSH-IENPIDJESA-N
XLogP1.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.21
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

tert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate
CID 177184014
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 146664765
tert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate
CID 135742569
tert-butyl 3-formylazetidine-1-carboxylate;ethane;hydrate
CID 156709755
tert-butyl (1S,5R)-6-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 171363629
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl 3-[(1S,2R,3S)-2-formyl-3-methylcyclopropyl]azetidine-1-carboxylate
CID 125453833
tert-butyl 3-[(1R,2S,3S)-2-formyl-3-methylcyclopropyl]azetidine-1-carboxylate
CID 125453831
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 9-oxa-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 58477127
tert-butyl (3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 93077844

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-2-formyl-6-methylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl (6S)-2-formyl-6-methylmorpholine-4-carboxylate (CID 155289845) is tert-butyl (6S)-2-formyl-6-methylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (6S)-2-formyl-6-methylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl (6S)-2-formyl-6-methylmorpholine-4-carboxylate is C[C@H]1CN(C(=O)OC(C)(C)C)CC(C=O)O1.
What is the InChIKey of tert-butyl (6S)-2-formyl-6-methylmorpholine-4-carboxylate?
The InChIKey is MHNICJNACLMQSH-IENPIDJESA-N. The full InChI is InChI=1S/C11H19NO4/c1-8-5-12(6-9(7-13)15-8)10(14)16-11(2,3)4/h7-9H,5-6H2,1-4H3/t8-,9?/m0/s1.
What are the key properties of tert-butyl (6S)-2-formyl-6-methylmorpholine-4-carboxylate?
tert-butyl (6S)-2-formyl-6-methylmorpholine-4-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6S)-2-formyl-6-methylmorpholine-4-carboxylate is sourced from PubChem (CID 155289845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).