methyl 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoate

C11H18N2O4 — CID 83092824

IUPACmethyl 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=CCN1CCOCC1C(N)=O
InChIInChI=1S/C11H18N2O4/c1-8(11(15)16-2)3-4-13-5-6-17-7-9(13)10(12)14/h3,9H,4-7H2,1-2H3,(H2,12,14)
InChIKeyHXUMOMJDBSLGJC-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.71
Rot. Bonds4

About methyl 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoate

methyl 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoate (PubChem CID 83092824) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoate
PubChem CID83092824
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Namemethyl 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=CCN1CCOCC1C(N)=O
InChIInChI=1S/C11H18N2O4/c1-8(11(15)16-2)3-4-13-5-6-17-7-9(13)10(12)14/h3,9H,4-7H2,1-2H3,(H2,12,14)
InChIKeyHXUMOMJDBSLGJC-UHFFFAOYSA-N
XLogP-0.71
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-O-methyl 4-O-[[(2S)-1-methyl-3,6-dioxopiperazin-2-yl]methyl] (E)-but-2-enedioate
CID 122480513
4-O-[(1,5-dimethyl-3,6-dioxopiperazin-2-yl)methyl] 1-O-methyl (E)-but-2-enedioate
CID 122482182
1-O-methyl 4-O-[[(2S)-4-methyl-3,6-dioxopiperazin-2-yl]methyl] (E)-but-2-enedioate
CID 122482358
4-O-tert-butyl 1-O-[[(2S)-3,6-dioxopiperazin-2-yl]methyl] (E)-but-2-enedioate
CID 122482371
ethyl (E)-4-[[3,3-dimethyl-2-[(4-methylmorpholine-3-carbonyl)amino]butanoyl]-methylamino]-2-methylbut-2-enoate;propane
CID 142813658
4-O-[[(2S)-1,4-dimethyl-3,6-dioxopiperazin-2-yl]methyl] 1-O-methyl (E)-but-2-enedioate
CID 145134593
ethyl 1-[(E)-4-ethoxy-4-oxobut-2-enyl]piperazine-2-carboxylate
CID 80549153
4-(3-Carbamoylmorpholin-4-yl)-2-methylbut-2-enoic acid
CID 83095341
4-(3-Carbamoylmorpholin-4-yl)-2-ethylbut-2-enoic acid
CID 83095426
ethyl (E)-4-(3-carbamoylmorpholin-4-yl)but-2-enoate
CID 83095427
4-(3-Carbamoylmorpholin-4-yl)-3-methylbut-2-enoic acid
CID 83095808
Methyl 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoate
CID 83095979

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoate?
The IUPAC name of methyl 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoate (CID 83092824) is methyl 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoate.
What is the SMILES notation for methyl 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoate?
The canonical SMILES for methyl 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoate is COC(=O)C(C)=CCN1CCOCC1C(N)=O.
What is the InChIKey of methyl 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoate?
The InChIKey is HXUMOMJDBSLGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-8(11(15)16-2)3-4-13-5-6-17-7-9(13)10(12)14/h3,9H,4-7H2,1-2H3,(H2,12,14).
What are the key properties of methyl 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoate?
methyl 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoate has a molecular weight of 242.27 g/mol, XLogP of -0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoate is sourced from PubChem (CID 83092824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).