2-hydroxyethyl 3-ethylmorpholine-4-carboxylate

C9H17NO4 — CID 79349487

IUPAC2-hydroxyethyl 3-ethylmorpholine-4-carboxylate
SMILESCCC1COCCN1C(=O)OCCO
InChIInChI=1S/C9H17NO4/c1-2-8-7-13-5-3-10(8)9(12)14-6-4-11/h8,11H,2-7H2,1H3
InChIKeyXFHHDFOPZLYUPV-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.23
Rot. Bonds3

About 2-hydroxyethyl 3-ethylmorpholine-4-carboxylate

2-hydroxyethyl 3-ethylmorpholine-4-carboxylate (PubChem CID 79349487) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-hydroxyethyl 3-ethylmorpholine-4-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 3-ethylmorpholine-4-carboxylate
PubChem CID79349487
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-hydroxyethyl 3-ethylmorpholine-4-carboxylate
SMILESCCC1COCCN1C(=O)OCCO
InChIInChI=1S/C9H17NO4/c1-2-8-7-13-5-3-10(8)9(12)14-6-4-11/h8,11H,2-7H2,1H3
InChIKeyXFHHDFOPZLYUPV-UHFFFAOYSA-N
XLogP0.23
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
cyclohexyl 3-ethylmorpholine-4-carboxylate
CID 70843806
2-amino-1-(3-ethylmorpholin-4-yl)propan-1-one
CID 43613241
2-(3-ethylmorpholin-4-yl)-2-oxoacetohydrazide
CID 43613615
3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43613382
N-(2-aminoethyl)-3-ethyl-N-methylmorpholine-4-carboxamide
CID 82509083
prop-2-enyl 3-(hydroxymethyl)morpholine-4-carboxylate
CID 19915005
5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid
CID 43611838
1-(3-ethylmorpholin-4-yl)but-2-en-1-one
CID 78966287
5-bromo-1-(3-ethylmorpholin-4-yl)pentan-1-one
CID 107908453
(4-aminooxan-4-yl)-(3-ethylmorpholin-4-yl)methanone
CID 115293761

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-ethylmorpholine-4-carboxylate?
The IUPAC name of 2-hydroxyethyl 3-ethylmorpholine-4-carboxylate (CID 79349487) is 2-hydroxyethyl 3-ethylmorpholine-4-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 3-ethylmorpholine-4-carboxylate?
The canonical SMILES for 2-hydroxyethyl 3-ethylmorpholine-4-carboxylate is CCC1COCCN1C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 3-ethylmorpholine-4-carboxylate?
The InChIKey is XFHHDFOPZLYUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-2-8-7-13-5-3-10(8)9(12)14-6-4-11/h8,11H,2-7H2,1H3.
What are the key properties of 2-hydroxyethyl 3-ethylmorpholine-4-carboxylate?
2-hydroxyethyl 3-ethylmorpholine-4-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-ethylmorpholine-4-carboxylate is sourced from PubChem (CID 79349487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).