methyl 2-morpholin-4-yl-2-oxoacetate

C7H11NO4 — CID 11008404

IUPACmethyl 2-morpholin-4-yl-2-oxoacetate
SMILESCOC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C7H11NO4/c1-11-7(10)6(9)8-2-4-12-5-3-8/h2-5H2,1H3
InChIKeyVUGVPTLARGAQAP-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.98
Rot. Bonds

About methyl 2-morpholin-4-yl-2-oxoacetate

methyl 2-morpholin-4-yl-2-oxoacetate (PubChem CID 11008404) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is methyl 2-morpholin-4-yl-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-yl-2-oxoacetate
PubChem CID11008404
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Namemethyl 2-morpholin-4-yl-2-oxoacetate
SMILESCOC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C7H11NO4/c1-11-7(10)6(9)8-2-4-12-5-3-8/h2-5H2,1H3
InChIKeyVUGVPTLARGAQAP-UHFFFAOYSA-N
XLogP-0.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.98
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 Oxo(Piperidin-1-Yl)Acetate
CID 104406
Ethyl N,N-diethyloxamate
CID 138489
(Morpholin-4-yl)(oxo)acetic acid
CID 15401443
4-Methylmorpholin-3-one
CID 11007867
Methoxyacetic acid, morpholide
CID 532078
2-(3-Oxomorpholin-4-yl)acetic acid
CID 50990566
2-(3-Oxomorpholin-4-yl)propanoic acid
CID 79468110
Ethyl (4-ethyl-1-piperazinyl)(oxo)acetate
CID 2166906
Ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate
CID 14985599
Ethyl alpha-oxo-4-morpholineacetate
CID 3414011
Acetoxyacetic acid, morpholide
CID 531940
Ethyl 2-(4-methylpiperazin-1-yl)-2-oxoacetate
CID 3255797

Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-yl-2-oxoacetate?
The IUPAC name of methyl 2-morpholin-4-yl-2-oxoacetate (CID 11008404) is methyl 2-morpholin-4-yl-2-oxoacetate.
What is the SMILES notation for methyl 2-morpholin-4-yl-2-oxoacetate?
The canonical SMILES for methyl 2-morpholin-4-yl-2-oxoacetate is COC(=O)C(=O)N1CCOCC1.
What is the InChIKey of methyl 2-morpholin-4-yl-2-oxoacetate?
The InChIKey is VUGVPTLARGAQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-11-7(10)6(9)8-2-4-12-5-3-8/h2-5H2,1H3.
What are the key properties of methyl 2-morpholin-4-yl-2-oxoacetate?
methyl 2-morpholin-4-yl-2-oxoacetate has a molecular weight of 173.17 g/mol, XLogP of -0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-yl-2-oxoacetate is sourced from PubChem (CID 11008404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).