ethyl 2-[(2S,6R)-2-ethenyl-6-methylmorpholin-4-yl]-2-oxoacetate

C11H17NO4 — CID 146644789

IUPACethyl 2-[(2S,6R)-2-ethenyl-6-methylmorpholin-4-yl]-2-oxoacetate
SMILESC=C[C@H]1CN(C(=O)C(=O)OCC)C[C@@H](C)O1
InChIInChI=1S/C11H17NO4/c1-4-9-7-12(6-8(3)16-9)10(13)11(14)15-5-2/h4,8-9H,1,5-7H2,2-3H3/t8-,9+/m1/s1
InChIKeyHQIHAQDVBXDSET-BDAKNGLRSA-N
MW227.26 g/mol
LogP0.35
Rot. Bonds2

About ethyl 2-[(2S,6R)-2-ethenyl-6-methylmorpholin-4-yl]-2-oxoacetate

ethyl 2-[(2S,6R)-2-ethenyl-6-methylmorpholin-4-yl]-2-oxoacetate (PubChem CID 146644789) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl 2-[(2S,6R)-2-ethenyl-6-methylmorpholin-4-yl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(2S,6R)-2-ethenyl-6-methylmorpholin-4-yl]-2-oxoacetate
PubChem CID146644789
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Nameethyl 2-[(2S,6R)-2-ethenyl-6-methylmorpholin-4-yl]-2-oxoacetate
SMILESC=C[C@H]1CN(C(=O)C(=O)OCC)C[C@@H](C)O1
InChIInChI=1S/C11H17NO4/c1-4-9-7-12(6-8(3)16-9)10(13)11(14)15-5-2/h4,8-9H,1,5-7H2,2-3H3/t8-,9+/m1/s1
InChIKeyHQIHAQDVBXDSET-BDAKNGLRSA-N
XLogP0.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-Methyl-2-propen-1-yl)oxy]-1-(4-morpholinyl)ethanone
CID 70497158
6-Ethenyl-4-(3-propan-2-yloxypropyl)morpholin-3-one
CID 58549980
4-Butyl-6-ethenylmorpholin-3-one
CID 58550061
(2R)-1-morpholin-4-yl-2-prop-2-enoxypropan-1-one
CID 59430741
1-Morpholin-4-yl-2-pent-1-en-3-yloxyethanone
CID 68150571
1-morpholin-4-yl-2-[(3R)-pent-1-en-3-yl]oxyethanone
CID 90250225
2-[(2S)-1-methoxybut-3-en-2-yl]oxy-1-morpholin-4-ylethanone
CID 122502844
Prop-2-enyl 2-[methyl(propyl)amino]-2-oxoacetate
CID 139567716
Prop-2-enyl 2-morpholin-4-yl-2-oxoacetate
CID 139567729
1-O-methyl 6-O-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] (E)-hex-3-enedioate
CID 161621467
[(2S)-1-morpholin-4-yl-1-oxopent-4-en-2-yl] acetate
CID 101105008
2-[2-But-3-enoxypropanoyl(methyl)amino]acetic acid
CID 115729804

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,6R)-2-ethenyl-6-methylmorpholin-4-yl]-2-oxoacetate?
The IUPAC name of ethyl 2-[(2S,6R)-2-ethenyl-6-methylmorpholin-4-yl]-2-oxoacetate (CID 146644789) is ethyl 2-[(2S,6R)-2-ethenyl-6-methylmorpholin-4-yl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(2S,6R)-2-ethenyl-6-methylmorpholin-4-yl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(2S,6R)-2-ethenyl-6-methylmorpholin-4-yl]-2-oxoacetate is C=C[C@H]1CN(C(=O)C(=O)OCC)C[C@@H](C)O1.
What is the InChIKey of ethyl 2-[(2S,6R)-2-ethenyl-6-methylmorpholin-4-yl]-2-oxoacetate?
The InChIKey is HQIHAQDVBXDSET-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H17NO4/c1-4-9-7-12(6-8(3)16-9)10(13)11(14)15-5-2/h4,8-9H,1,5-7H2,2-3H3/t8-,9+/m1/s1.
What are the key properties of ethyl 2-[(2S,6R)-2-ethenyl-6-methylmorpholin-4-yl]-2-oxoacetate?
ethyl 2-[(2S,6R)-2-ethenyl-6-methylmorpholin-4-yl]-2-oxoacetate has a molecular weight of 227.26 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S,6R)-2-ethenyl-6-methylmorpholin-4-yl]-2-oxoacetate is sourced from PubChem (CID 146644789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).