methyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate

C12H21NO3 — CID 97064897

IUPACmethyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate
SMILESCOC(=O)[C@@H]1CN(CC2CCC2)C[C@@H](C)O1
InChIInChI=1S/C12H21NO3/c1-9-6-13(7-10-4-3-5-10)8-11(16-9)12(14)15-2/h9-11H,3-8H2,1-2H3/t9-,11+/m1/s1
InChIKeyKURKPJOKMDZUJM-KOLCDFICSA-N
MW227.30 g/mol
LogP1.05
Rot. Bonds3

About methyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate

methyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate (PubChem CID 97064897) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate
PubChem CID97064897
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate
SMILESCOC(=O)[C@@H]1CN(CC2CCC2)C[C@@H](C)O1
InChIInChI=1S/C12H21NO3/c1-9-6-13(7-10-4-3-5-10)8-11(16-9)12(14)15-2/h9-11H,3-8H2,1-2H3/t9-,11+/m1/s1
InChIKeyKURKPJOKMDZUJM-KOLCDFICSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate
CID 127003930
methyl (6R)-6-methyl-4-(3-piperidin-1-ylpropyl)morpholine-2-carboxylate
CID 86800408
methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate
CID 97064900
methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate
CID 65462250
methyl (2S)-3-(cyclopropylmethyl)-2-hydroxy-1,3-oxazolidine-5-carboxylate
CID 176657201
methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate
CID 97064939
methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate
CID 75426549
methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate
CID 97064914
tert-butyl 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carboxylate
CID 102561136
tert-butyl (3S)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidine-1-carboxylate
CID 98512771
methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate
CID 112543460
methyl 1-(cyclopentylmethyl)piperidine-3-carboxylate
CID 78921285

Frequently Asked Questions

What is the IUPAC name of methyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate?
The IUPAC name of methyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate (CID 97064897) is methyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate.
What is the SMILES notation for methyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate?
The canonical SMILES for methyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate is COC(=O)[C@@H]1CN(CC2CCC2)C[C@@H](C)O1.
What is the InChIKey of methyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate?
The InChIKey is KURKPJOKMDZUJM-KOLCDFICSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9-6-13(7-10-4-3-5-10)8-11(16-9)12(14)15-2/h9-11H,3-8H2,1-2H3/t9-,11+/m1/s1.
What are the key properties of methyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate?
methyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate is sourced from PubChem (CID 97064897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).