ethyl 4-(3-formylmorpholin-4-yl)butanoate

C11H19NO4 — CID 170430056

IUPACethyl 4-(3-formylmorpholin-4-yl)butanoate
SMILESCCOC(=O)CCCN1CCOCC1C=O
InChIInChI=1S/C11H19NO4/c1-2-16-11(14)4-3-5-12-6-7-15-9-10(12)8-13/h8,10H,2-7,9H2,1H3
InChIKeyNMYKHYJSKQDFGC-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.23
Rot. Bonds6

About ethyl 4-(3-formylmorpholin-4-yl)butanoate

ethyl 4-(3-formylmorpholin-4-yl)butanoate (PubChem CID 170430056) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 4-(3-formylmorpholin-4-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(3-formylmorpholin-4-yl)butanoate
PubChem CID170430056
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl 4-(3-formylmorpholin-4-yl)butanoate
SMILESCCOC(=O)CCCN1CCOCC1C=O
InChIInChI=1S/C11H19NO4/c1-2-16-11(14)4-3-5-12-6-7-15-9-10(12)8-13/h8,10H,2-7,9H2,1H3
InChIKeyNMYKHYJSKQDFGC-UHFFFAOYSA-N
XLogP0.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7-morpholin-4-ylheptanoate
CID 56691255
ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589
ethyl 3-[3-(cyclopropylcarbamoyl)morpholin-4-yl]propanoate
CID 83103871
ethyl 4-(4-chloropiperidin-1-yl)butanoate
CID 71533979
ethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate
CID 57137789
ethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate
CID 129009308
ethyl 5-(oxolan-3-yl)pentanoate
CID 142409094
ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate
CID 82775567
ethyl 4-piperidin-1-ylbutanoate
CID 14044356
(3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde
CID 175315044
ethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate
CID 114337967
ethyl 4-(4-hydroxypiperidin-1-yl)butanoate
CID 66524329

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-formylmorpholin-4-yl)butanoate?
The IUPAC name of ethyl 4-(3-formylmorpholin-4-yl)butanoate (CID 170430056) is ethyl 4-(3-formylmorpholin-4-yl)butanoate.
What is the SMILES notation for ethyl 4-(3-formylmorpholin-4-yl)butanoate?
The canonical SMILES for ethyl 4-(3-formylmorpholin-4-yl)butanoate is CCOC(=O)CCCN1CCOCC1C=O.
What is the InChIKey of ethyl 4-(3-formylmorpholin-4-yl)butanoate?
The InChIKey is NMYKHYJSKQDFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-16-11(14)4-3-5-12-6-7-15-9-10(12)8-13/h8,10H,2-7,9H2,1H3.
What are the key properties of ethyl 4-(3-formylmorpholin-4-yl)butanoate?
ethyl 4-(3-formylmorpholin-4-yl)butanoate has a molecular weight of 229.28 g/mol, XLogP of 0.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-formylmorpholin-4-yl)butanoate is sourced from PubChem (CID 170430056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).