methyl 3-(2-ethylmorpholin-4-yl)butanoate

C11H21NO3 — CID 43562857

IUPACmethyl 3-(2-ethylmorpholin-4-yl)butanoate
SMILESCCC1CN(C(C)CC(=O)OC)CCO1
InChIInChI=1S/C11H21NO3/c1-4-10-8-12(5-6-15-10)9(2)7-11(13)14-3/h9-10H,4-8H2,1-3H3
InChIKeyDXXCTEIIOGOJRP-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.05
Rot. Bonds4

About methyl 3-(2-ethylmorpholin-4-yl)butanoate

methyl 3-(2-ethylmorpholin-4-yl)butanoate (PubChem CID 43562857) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 3-(2-ethylmorpholin-4-yl)butanoate.

Molecular Properties

Compound Namemethyl 3-(2-ethylmorpholin-4-yl)butanoate
PubChem CID43562857
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 3-(2-ethylmorpholin-4-yl)butanoate
SMILESCCC1CN(C(C)CC(=O)OC)CCO1
InChIInChI=1S/C11H21NO3/c1-4-10-8-12(5-6-15-10)9(2)7-11(13)14-3/h9-10H,4-8H2,1-3H3
InChIKeyDXXCTEIIOGOJRP-UHFFFAOYSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-ethylmorpholin-4-yl)-2-methylbutanoate
CID 79406097
3-(2-ethylmorpholin-4-yl)-N'-hydroxybutanimidamide
CID 76883581
3-(2-ethylmorpholin-4-yl)-2-methylbutanehydrazide
CID 79408999
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate
CID 63609412
3-(2-ethylmorpholin-4-yl)butan-1-amine
CID 60913991
2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid
CID 64709975
N-ethyl-3-(2-ethylmorpholin-4-yl)butan-1-amine
CID 62434087
(2S)-N-cyclopropyl-2-[(2R)-2-ethylmorpholin-4-yl]propanamide
CID 95282446
methyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate
CID 79823412
methyl 2-[4-[1-(methylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
CID 79822708
(2R)-N-carbamoyl-2-[(2S)-2-ethylmorpholin-4-yl]propanamide
CID 98752361
4-(2-ethylmorpholin-4-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64711142

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-ethylmorpholin-4-yl)butanoate?
The IUPAC name of methyl 3-(2-ethylmorpholin-4-yl)butanoate (CID 43562857) is methyl 3-(2-ethylmorpholin-4-yl)butanoate.
What is the SMILES notation for methyl 3-(2-ethylmorpholin-4-yl)butanoate?
The canonical SMILES for methyl 3-(2-ethylmorpholin-4-yl)butanoate is CCC1CN(C(C)CC(=O)OC)CCO1.
What is the InChIKey of methyl 3-(2-ethylmorpholin-4-yl)butanoate?
The InChIKey is DXXCTEIIOGOJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-10-8-12(5-6-15-10)9(2)7-11(13)14-3/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 3-(2-ethylmorpholin-4-yl)butanoate?
methyl 3-(2-ethylmorpholin-4-yl)butanoate has a molecular weight of 215.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-ethylmorpholin-4-yl)butanoate is sourced from PubChem (CID 43562857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).