methyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate

C14H25NO3 — CID 124735104

IUPACmethyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate
SMILESC=CC[C@H](C)[C@@H](C)N1C[C@@H](C)O[C@@H](C(=O)OC)C1
InChIInChI=1S/C14H25NO3/c1-6-7-10(2)12(4)15-8-11(3)18-13(9-15)14(16)17-5/h6,10-13H,1,7-9H2,2-5H3/t10-,11+,12+,13+/m0/s1
InChIKeyNBJQJOUXAGRQAY-UMSGYPCISA-N
MW255.36 g/mol
LogP1.85
Rot. Bonds5

About methyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate

methyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate (PubChem CID 124735104) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate
PubChem CID124735104
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate
SMILESC=CC[C@H](C)[C@@H](C)N1C[C@@H](C)O[C@@H](C(=O)OC)C1
InChIInChI=1S/C14H25NO3/c1-6-7-10(2)12(4)15-8-11(3)18-13(9-15)14(16)17-5/h6,10-13H,1,7-9H2,2-5H3/t10-,11+,12+,13+/m0/s1
InChIKeyNBJQJOUXAGRQAY-UMSGYPCISA-N
XLogP1.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate with MolForge

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Related Compounds

methyl (2R,6R)-4-[(1R)-1-cyanoethyl]-6-methylmorpholine-2-carboxylate
CID 124828879
methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate
CID 97064900
methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate
CID 127003930
methyl (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate
CID 97064897
methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoate
CID 103936716
methyl 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoate
CID 104959277
methyl (6R)-6-methyl-4-(3-piperidin-1-ylpropyl)morpholine-2-carboxylate
CID 86800408
1-(3-methylhex-5-en-2-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 75520129
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbutanoic acid
CID 104959290
methyl (2R,6R)-6-methyl-4-[[(2R,3R)-2-(2-methylpropyl)oxan-3-yl]carbamoyl]morpholine-2-carboxylate
CID 124851088
methyl (2R,4R)-4-methyloxetane-2-carboxylate
CID 77068268
methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate
CID 75426549

Frequently Asked Questions

What is the IUPAC name of methyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate?
The IUPAC name of methyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate (CID 124735104) is methyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate.
What is the SMILES notation for methyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate?
The canonical SMILES for methyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate is C=CC[C@H](C)[C@@H](C)N1C[C@@H](C)O[C@@H](C(=O)OC)C1.
What is the InChIKey of methyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate?
The InChIKey is NBJQJOUXAGRQAY-UMSGYPCISA-N. The full InChI is InChI=1S/C14H25NO3/c1-6-7-10(2)12(4)15-8-11(3)18-13(9-15)14(16)17-5/h6,10-13H,1,7-9H2,2-5H3/t10-,11+,12+,13+/m0/s1.
What are the key properties of methyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate?
methyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate is sourced from PubChem (CID 124735104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).