ethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate

C9H15NO4 — CID 60893749

IUPACethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CCOC(C)C1
InChIInChI=1S/C9H15NO4/c1-3-13-9(12)8(11)10-4-5-14-7(2)6-10/h7H,3-6H2,1-2H3
InChIKeyRHJBRKFAGTXQHL-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.20
Rot. Bonds1

About ethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate

ethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate (PubChem CID 60893749) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is ethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate
PubChem CID60893749
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nameethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CCOC(C)C1
InChIInChI=1S/C9H15NO4/c1-3-13-9(12)8(11)10-4-5-14-7(2)6-10/h7H,3-6H2,1-2H3
InChIKeyRHJBRKFAGTXQHL-UHFFFAOYSA-N
XLogP-0.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoacetate
CID 7027814
ethane;ethyl 2-methylmorpholine-4-carboxylate;1-(2-methylmorpholin-4-yl)ethanone
CID 142506690
ethyl 2-(3-aminopyrrolidin-1-yl)-2-oxoacetate
CID 62068517
ethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate
CID 63615548
ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-oxoacetate
CID 60893385
ethyl 2,4-dimethyl-5-(2-methylmorpholine-4-carbonyl)-1H-pyrrole-3-carboxylate
CID 51293161
2-methylmorpholine-4-carboperoxoic acid
CID 175134730
(2S)-2-methylmorpholine-4-carbonyl chloride
CID 151798222
N-ethyl-N,2-dimethylmorpholine-4-carboxamide
CID 116653749
ethyl 2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetate
CID 63174646
2-amino-2-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
CID 60848917
ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate
CID 61403502

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate?
The IUPAC name of ethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate (CID 60893749) is ethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate is CCOC(=O)C(=O)N1CCOC(C)C1.
What is the InChIKey of ethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate?
The InChIKey is RHJBRKFAGTXQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-3-13-9(12)8(11)10-4-5-14-7(2)6-10/h7H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate?
ethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate has a molecular weight of 201.22 g/mol, XLogP of -0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate is sourced from PubChem (CID 60893749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).