ethyl 2-morpholin-4-yl-2-oxoacetate

C8H13NO4 — CID 3414011

IUPACethyl 2-morpholin-4-yl-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C8H13NO4/c1-2-13-8(11)7(10)9-3-5-12-6-4-9/h2-6H2,1H3
InChIKeyHBHBZMGEGJKXNC-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.59
Rot. Bonds1

About ethyl 2-morpholin-4-yl-2-oxoacetate

ethyl 2-morpholin-4-yl-2-oxoacetate (PubChem CID 3414011) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is ethyl 2-morpholin-4-yl-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-morpholin-4-yl-2-oxoacetate
PubChem CID3414011
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Nameethyl 2-morpholin-4-yl-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C8H13NO4/c1-2-13-8(11)7(10)9-3-5-12-6-4-9/h2-6H2,1H3
InChIKeyHBHBZMGEGJKXNC-UHFFFAOYSA-N
XLogP-0.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.59
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 2-oxo-2-(n,n-dipropylamino)acetate
CID 300609
Butyl 2-oxo-2-piperidin-1-ylacetate
CID 101911870
Acetoxyacetic acid, morpholide
CID 531940

Frequently Asked Questions

What is the IUPAC name of ethyl 2-morpholin-4-yl-2-oxoacetate?
The IUPAC name of ethyl 2-morpholin-4-yl-2-oxoacetate (CID 3414011) is ethyl 2-morpholin-4-yl-2-oxoacetate.
What is the SMILES notation for ethyl 2-morpholin-4-yl-2-oxoacetate?
The canonical SMILES for ethyl 2-morpholin-4-yl-2-oxoacetate is CCOC(=O)C(=O)N1CCOCC1.
What is the InChIKey of ethyl 2-morpholin-4-yl-2-oxoacetate?
The InChIKey is HBHBZMGEGJKXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-2-13-8(11)7(10)9-3-5-12-6-4-9/h2-6H2,1H3.
What are the key properties of ethyl 2-morpholin-4-yl-2-oxoacetate?
ethyl 2-morpholin-4-yl-2-oxoacetate has a molecular weight of 187.19 g/mol, XLogP of -0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-morpholin-4-yl-2-oxoacetate is sourced from PubChem (CID 3414011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).