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

C12H23NO3 — CID 79406097

IUPACmethyl 3-(2-ethylmorpholin-4-yl)-2-methylbutanoate
SMILESCCC1CN(C(C)C(C)C(=O)OC)CCO1
InChIInChI=1S/C12H23NO3/c1-5-11-8-13(6-7-16-11)10(3)9(2)12(14)15-4/h9-11H,5-8H2,1-4H3
InChIKeyCVAAZKIFEVSTRP-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.29
Rot. Bonds4

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

methyl 3-(2-ethylmorpholin-4-yl)-2-methylbutanoate (PubChem CID 79406097) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 3-(2-ethylmorpholin-4-yl)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-(2-ethylmorpholin-4-yl)-2-methylbutanoate
PubChem CID79406097
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 3-(2-ethylmorpholin-4-yl)-2-methylbutanoate
SMILESCCC1CN(C(C)C(C)C(=O)OC)CCO1
InChIInChI=1S/C12H23NO3/c1-5-11-8-13(6-7-16-11)10(3)9(2)12(14)15-4/h9-11H,5-8H2,1-4H3
InChIKeyCVAAZKIFEVSTRP-UHFFFAOYSA-N
XLogP1.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2-ethylmorpholin-4-yl)-2-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-ethylmorpholin-4-yl)-2-methylbutanehydrazide
CID 79408999
methyl 3-(2-ethylmorpholin-4-yl)butanoate
CID 43562857
(2R)-N-carbamoyl-2-[(2S)-2-ethylmorpholin-4-yl]propanamide
CID 98752361
methyl 3-(2-ethylmorpholin-4-yl)-2-methylpropanoate
CID 43562855
(2S)-N-cyclopropyl-2-[(2R)-2-ethylmorpholin-4-yl]propanamide
CID 95282446
2-amino-4-(2-ethylmorpholin-4-yl)-2-methylpentanoic acid
CID 64709975
methyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate
CID 95160744
methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutanoate
CID 112626240
3-(2-ethylmorpholin-4-yl)butan-1-amine
CID 60913991
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoate
CID 79414057
methyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate
CID 103498157
N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562386

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-ethylmorpholin-4-yl)-2-methylbutanoate?
The IUPAC name of methyl 3-(2-ethylmorpholin-4-yl)-2-methylbutanoate (CID 79406097) is methyl 3-(2-ethylmorpholin-4-yl)-2-methylbutanoate.
What is the SMILES notation for methyl 3-(2-ethylmorpholin-4-yl)-2-methylbutanoate?
The canonical SMILES for methyl 3-(2-ethylmorpholin-4-yl)-2-methylbutanoate is CCC1CN(C(C)C(C)C(=O)OC)CCO1.
What is the InChIKey of methyl 3-(2-ethylmorpholin-4-yl)-2-methylbutanoate?
The InChIKey is CVAAZKIFEVSTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-11-8-13(6-7-16-11)10(3)9(2)12(14)15-4/h9-11H,5-8H2,1-4H3.
What are the key properties of methyl 3-(2-ethylmorpholin-4-yl)-2-methylbutanoate?
methyl 3-(2-ethylmorpholin-4-yl)-2-methylbutanoate has a molecular weight of 229.32 g/mol, XLogP of 1.29, 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)-2-methylbutanoate is sourced from PubChem (CID 79406097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).