methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate

C10H16N2O5 — CID 78927137

IUPACmethyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)CNC(C)=O)CCO1
InChIInChI=1S/C10H16N2O5/c1-7(13)11-5-9(14)12-3-4-17-8(6-12)10(15)16-2/h8H,3-6H2,1-2H3,(H,11,13)
InChIKeyULMDFLNQOQEPEA-UHFFFAOYSA-N
MW244.25 g/mol
LogP-1.48
Rot. Bonds3

About methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate

methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate (PubChem CID 78927137) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
PubChem CID78927137
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Namemethyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)CNC(C)=O)CCO1
InChIInChI=1S/C10H16N2O5/c1-7(13)11-5-9(14)12-3-4-17-8(6-12)10(15)16-2/h8H,3-6H2,1-2H3,(H,11,13)
InChIKeyULMDFLNQOQEPEA-UHFFFAOYSA-N
XLogP-1.48
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-(thiophene-2-carbonylamino)acetyl]morpholine-2-carboxylate
CID 78927122
methyl 4-(5-bromopentanoyl)morpholine-2-carboxylate
CID 107910433
methyl 4-heptanoylmorpholine-2-carboxylate
CID 78926830
2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid
CID 115534040
2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate
CID 115536113
2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 115535386
methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate
CID 78927141
methyl 4-(2-bromo-3-methylbutanoyl)morpholine-2-carboxylate
CID 115534240
methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate
CID 80706522
methyl 4-[2-(3-ethoxycyclobutyl)acetyl]morpholine-2-carboxylate
CID 103165176
methyl 4-[2-(cyclohexen-1-yl)acetyl]morpholine-2-carboxylate
CID 78947765
methyl 4-(piperidine-1-carbonyl)morpholine-2-carboxylate
CID 78927190

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate (CID 78927137) is methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)CNC(C)=O)CCO1.
What is the InChIKey of methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate?
The InChIKey is ULMDFLNQOQEPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-7(13)11-5-9(14)12-3-4-17-8(6-12)10(15)16-2/h8H,3-6H2,1-2H3,(H,11,13).
What are the key properties of methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate?
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate has a molecular weight of 244.25 g/mol, XLogP of -1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate is sourced from PubChem (CID 78927137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).