methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate

C11H19NO3 — CID 97064900

IUPACmethyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate
SMILESC=CCCN1C[C@@H](C)O[C@@H](C(=O)OC)C1
InChIInChI=1S/C11H19NO3/c1-4-5-6-12-7-9(2)15-10(8-12)11(13)14-3/h4,9-10H,1,5-8H2,2-3H3/t9-,10-/m1/s1
InChIKeyUZVHGVPDPQOXIL-NXEZZACHSA-N
MW213.28 g/mol
LogP0.82
Rot. Bonds4

About methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate

methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate (PubChem CID 97064900) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate
PubChem CID97064900
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate
SMILESC=CCCN1C[C@@H](C)O[C@@H](C(=O)OC)C1
InChIInChI=1S/C11H19NO3/c1-4-5-6-12-7-9(2)15-10(8-12)11(13)14-3/h4,9-10H,1,5-8H2,2-3H3/t9-,10-/m1/s1
InChIKeyUZVHGVPDPQOXIL-NXEZZACHSA-N
XLogP0.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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 (2S,6R)-4-(cyclobutylmethyl)-6-methylmorpholine-2-carboxylate
CID 97064897
methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate
CID 97064914
methyl (2R,6R)-6-methyl-4-[(2R,3S)-3-methylhex-5-en-2-yl]morpholine-2-carboxylate
CID 124735104
methyl (2R,6R)-6-methyl-4-(2-pyridin-2-ylethyl)morpholine-2-carboxylate
CID 97064912
methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate
CID 75426549
methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate
CID 97064939
methyl (2S,6R)-4-[3-(1,3-benzoxazol-2-yl)propyl]-6-methylmorpholine-2-carboxylate
CID 97064905
methyl (2R,6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate
CID 97059746
methyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate
CID 71970330
methyl 2-(2,6-dimethylmorpholin-4-yl)acetate
CID 22198251

Frequently Asked Questions

What is the IUPAC name of methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate?
The IUPAC name of methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate (CID 97064900) is methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate.
What is the SMILES notation for methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate?
The canonical SMILES for methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate is C=CCCN1C[C@@H](C)O[C@@H](C(=O)OC)C1.
What is the InChIKey of methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate?
The InChIKey is UZVHGVPDPQOXIL-NXEZZACHSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-5-6-12-7-9(2)15-10(8-12)11(13)14-3/h4,9-10H,1,5-8H2,2-3H3/t9-,10-/m1/s1.
What are the key properties of methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate?
methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6R)-4-but-3-enyl-6-methylmorpholine-2-carboxylate is sourced from PubChem (CID 97064900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).