methyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate

C13H24N2O4 — CID 79822362

IUPACmethyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate
SMILESCCC(C)NC(=O)CN1CCOC(CC(=O)OC)C1
InChIInChI=1S/C13H24N2O4/c1-4-10(2)14-12(16)9-15-5-6-19-11(8-15)7-13(17)18-3/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyDZAKGVRBYQBIPW-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.17
Rot. Bonds6

About methyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate

methyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate (PubChem CID 79822362) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate
PubChem CID79822362
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namemethyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate
SMILESCCC(C)NC(=O)CN1CCOC(CC(=O)OC)C1
InChIInChI=1S/C13H24N2O4/c1-4-10(2)14-12(16)9-15-5-6-19-11(8-15)7-13(17)18-3/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyDZAKGVRBYQBIPW-UHFFFAOYSA-N
XLogP0.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[4-[2-oxo-2-(pentan-3-ylamino)ethyl]morpholin-2-yl]acetate
CID 79822955
methyl 2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]morpholin-2-yl]acetate
CID 79827537
methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate
CID 115873221
methyl 2-[4-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]morpholin-2-yl]acetate
CID 79822357
methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate
CID 79822697
methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate
CID 79823416
methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730592
methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate
CID 79823228
methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate
CID 115533916
methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate
CID 79823047
2-methylpropyl 2-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate
CID 113330714
methyl 2-(4-but-3-en-2-ylmorpholin-2-yl)acetate
CID 79823412

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate (CID 79822362) is methyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate is CCC(C)NC(=O)CN1CCOC(CC(=O)OC)C1.
What is the InChIKey of methyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate?
The InChIKey is DZAKGVRBYQBIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-10(2)14-12(16)9-15-5-6-19-11(8-15)7-13(17)18-3/h10-11H,4-9H2,1-3H3,(H,14,16).
What are the key properties of methyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate?
methyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate has a molecular weight of 272.34 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]morpholin-2-yl]acetate is sourced from PubChem (CID 79822362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).