methyl (2R,6R)-4-[(1R)-1-cyanoethyl]-6-methylmorpholine-2-carboxylate

C10H16N2O3 — CID 124828879

IUPACmethyl (2R,6R)-4-[(1R)-1-cyanoethyl]-6-methylmorpholine-2-carboxylate
SMILESCOC(=O)[C@H]1CN([C@H](C)C#N)C[C@@H](C)O1
InChIInChI=1S/C10H16N2O3/c1-7(4-11)12-5-8(2)15-9(6-12)10(13)14-3/h7-9H,5-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyLSEGQFPQUKVULB-IWSPIJDZSA-N
MW212.25 g/mol
LogP0.16
Rot. Bonds2

About methyl (2R,6R)-4-[(1R)-1-cyanoethyl]-6-methylmorpholine-2-carboxylate

methyl (2R,6R)-4-[(1R)-1-cyanoethyl]-6-methylmorpholine-2-carboxylate (PubChem CID 124828879) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl (2R,6R)-4-[(1R)-1-cyanoethyl]-6-methylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6R)-4-[(1R)-1-cyanoethyl]-6-methylmorpholine-2-carboxylate
PubChem CID124828879
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl (2R,6R)-4-[(1R)-1-cyanoethyl]-6-methylmorpholine-2-carboxylate
SMILESCOC(=O)[C@H]1CN([C@H](C)C#N)C[C@@H](C)O1
InChIInChI=1S/C10H16N2O3/c1-7(4-11)12-5-8(2)15-9(6-12)10(13)14-3/h7-9H,5-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyLSEGQFPQUKVULB-IWSPIJDZSA-N
XLogP0.16
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate
CID 124735104
methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate
CID 127003930
methyl 1-(1-cyanoethyl)piperidine-4-carboxylate
CID 60644934
methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoate
CID 103936716
1-(1-cyanoethyl)-4-methoxypyrrolidine-3-carboxylic acid
CID 164648957
methyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate
CID 97064897
methyl (2R,6R)-4-[(3-cyano-4-fluorophenyl)methyl]-6-methylmorpholine-2-carboxylate
CID 97320861
methyl (2R,4R)-4-methyloxetane-2-carboxylate
CID 77068268
methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate
CID 97064900
methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate
CID 104959277
2-(2,6-dimethylmorpholin-4-yl)propanedinitrile
CID 131018223
methyl (6R)-6-methyl-4-(3-piperidin-1-ylpropyl)morpholine-2-carboxylate
CID 86800408

Frequently Asked Questions

What is the IUPAC name of methyl (2R,6R)-4-[(1R)-1-cyanoethyl]-6-methylmorpholine-2-carboxylate?
The IUPAC name of methyl (2R,6R)-4-[(1R)-1-cyanoethyl]-6-methylmorpholine-2-carboxylate (CID 124828879) is methyl (2R,6R)-4-[(1R)-1-cyanoethyl]-6-methylmorpholine-2-carboxylate.
What is the SMILES notation for methyl (2R,6R)-4-[(1R)-1-cyanoethyl]-6-methylmorpholine-2-carboxylate?
The canonical SMILES for methyl (2R,6R)-4-[(1R)-1-cyanoethyl]-6-methylmorpholine-2-carboxylate is COC(=O)[C@H]1CN([C@H](C)C#N)C[C@@H](C)O1.
What is the InChIKey of methyl (2R,6R)-4-[(1R)-1-cyanoethyl]-6-methylmorpholine-2-carboxylate?
The InChIKey is LSEGQFPQUKVULB-IWSPIJDZSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(4-11)12-5-8(2)15-9(6-12)10(13)14-3/h7-9H,5-6H2,1-3H3/t7-,8-,9-/m1/s1.
What are the key properties of methyl (2R,6R)-4-[(1R)-1-cyanoethyl]-6-methylmorpholine-2-carboxylate?
methyl (2R,6R)-4-[(1R)-1-cyanoethyl]-6-methylmorpholine-2-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6R)-4-[(1R)-1-cyanoethyl]-6-methylmorpholine-2-carboxylate is sourced from PubChem (CID 124828879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).