methyl 2-acetamido-3-(2-ethylmorpholin-4-yl)propanoate

C12H22N2O4 — CID 65442042

IUPACmethyl 2-acetamido-3-(2-ethylmorpholin-4-yl)propanoate
SMILESCCC1CN(CC(NC(C)=O)C(=O)OC)CCO1
InChIInChI=1S/C12H22N2O4/c1-4-10-7-14(5-6-18-10)8-11(12(16)17-3)13-9(2)15/h10-11H,4-8H2,1-3H3,(H,13,15)
InChIKeyIJMNXTBVXXHTJI-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.23
Rot. Bonds5

About methyl 2-acetamido-3-(2-ethylmorpholin-4-yl)propanoate

methyl 2-acetamido-3-(2-ethylmorpholin-4-yl)propanoate (PubChem CID 65442042) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 2-acetamido-3-(2-ethylmorpholin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(2-ethylmorpholin-4-yl)propanoate
PubChem CID65442042
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namemethyl 2-acetamido-3-(2-ethylmorpholin-4-yl)propanoate
SMILESCCC1CN(CC(NC(C)=O)C(=O)OC)CCO1
InChIInChI=1S/C12H22N2O4/c1-4-10-7-14(5-6-18-10)8-11(12(16)17-3)13-9(2)15/h10-11H,4-8H2,1-3H3,(H,13,15)
InChIKeyIJMNXTBVXXHTJI-UHFFFAOYSA-N
XLogP-0.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2-ethylmorpholin-4-yl)-2-methylpropanoate
CID 43562855
methyl 2-acetamido-3-(3,4-dimethoxypyrrolidin-1-yl)propanoate
CID 103535255
methyl 2-acetamido-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 112626135
methyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate
CID 113235641
methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate
CID 60693583
3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide
CID 61336630
(2S)-1-(2-ethylmorpholin-4-yl)propan-2-amine
CID 103934483
4-(2-ethylmorpholin-4-yl)-3-methylbutan-1-amine
CID 80544103
1-(2-ethylmorpholin-4-yl)butan-2-one
CID 62040570
methyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate
CID 79674895
4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanamide
CID 63028456
2-amino-4-(2-ethylmorpholin-4-yl)butanoic acid
CID 63028647

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(2-ethylmorpholin-4-yl)propanoate?
The IUPAC name of methyl 2-acetamido-3-(2-ethylmorpholin-4-yl)propanoate (CID 65442042) is methyl 2-acetamido-3-(2-ethylmorpholin-4-yl)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(2-ethylmorpholin-4-yl)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(2-ethylmorpholin-4-yl)propanoate is CCC1CN(CC(NC(C)=O)C(=O)OC)CCO1.
What is the InChIKey of methyl 2-acetamido-3-(2-ethylmorpholin-4-yl)propanoate?
The InChIKey is IJMNXTBVXXHTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-10-7-14(5-6-18-10)8-11(12(16)17-3)13-9(2)15/h10-11H,4-8H2,1-3H3,(H,13,15).
What are the key properties of methyl 2-acetamido-3-(2-ethylmorpholin-4-yl)propanoate?
methyl 2-acetamido-3-(2-ethylmorpholin-4-yl)propanoate has a molecular weight of 258.32 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(2-ethylmorpholin-4-yl)propanoate is sourced from PubChem (CID 65442042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).