4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid

C11H19NO3 — CID 77006511

IUPAC4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid
SMILESCCC1COCCN1CC(C)=CC(=O)O
InChIInChI=1S/C11H19NO3/c1-3-10-8-15-5-4-12(10)7-9(2)6-11(13)14/h6,10H,3-5,7-8H2,1-2H3,(H,13,14)
InChIKeyUCSHXXYBNHHMJR-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.13
Rot. Bonds4

About 4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid

4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid (PubChem CID 77006511) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid.

Molecular Properties

Compound Name4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid
PubChem CID77006511
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid
SMILESCCC1COCCN1CC(C)=CC(=O)O
InChIInChI=1S/C11H19NO3/c1-3-10-8-15-5-4-12(10)7-9(2)6-11(13)14/h6,10H,3-5,7-8H2,1-2H3,(H,13,14)
InChIKeyUCSHXXYBNHHMJR-UHFFFAOYSA-N
XLogP1.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethylpyrrolidin-1-yl)-3-methylbut-2-enoic acid
CID 77005923
4-(3-carbamoylmorpholin-4-yl)-3-methylbut-2-enoic acid
CID 83095808
4-(2-bromoprop-2-enyl)-3-ethylmorpholine
CID 130927364
3-methyl-4-morpholin-4-ylbut-2-enoic acid;hydrochloride
CID 134690671
2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid
CID 62272323
2-(3-ethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone
CID 43797584
2-acetamido-3-(3-ethylmorpholin-4-yl)propanoic acid
CID 64581322
2-(3-ethylmorpholin-4-yl)-1-(4-iodophenyl)ethanone
CID 43797578
2-(3-ethylmorpholin-4-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 43797605
1-[(3-ethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid
CID 62272325
2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid
CID 63053517
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methylbut-2-enoic acid
CID 77006068

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid?
The IUPAC name of 4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid (CID 77006511) is 4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid.
What is the SMILES notation for 4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid?
The canonical SMILES for 4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid is CCC1COCCN1CC(C)=CC(=O)O.
What is the InChIKey of 4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid?
The InChIKey is UCSHXXYBNHHMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-10-8-15-5-4-12(10)7-9(2)6-11(13)14/h6,10H,3-5,7-8H2,1-2H3,(H,13,14).
What are the key properties of 4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid?
4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid is sourced from PubChem (CID 77006511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).