methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate

C9H16N2O4 — CID 112617409

IUPACmethyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
SMILESCOC(=O)C(=O)NCC1CN(C)CCO1
InChIInChI=1S/C9H16N2O4/c1-11-3-4-15-7(6-11)5-10-8(12)9(13)14-2/h7H,3-6H2,1-2H3,(H,10,12)
InChIKeyLNKKCCHUDGJNGO-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.39
Rot. Bonds2

About methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate

methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate (PubChem CID 112617409) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
PubChem CID112617409
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Namemethyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
SMILESCOC(=O)C(=O)NCC1CN(C)CCO1
InChIInChI=1S/C9H16N2O4/c1-11-3-4-15-7(6-11)5-10-8(12)9(13)14-2/h7H,3-6H2,1-2H3,(H,10,12)
InChIKeyLNKKCCHUDGJNGO-UHFFFAOYSA-N
XLogP-1.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 49094753
1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 110747047
4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide
CID 115295108
1-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutane-1-carboxamide
CID 122566549
1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine
CID 106123425
2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid
CID 103498729
2-(azetidin-3-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 79083364
2,6-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710223
4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79081947

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate?
The IUPAC name of methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate (CID 112617409) is methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate?
The canonical SMILES for methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate is COC(=O)C(=O)NCC1CN(C)CCO1.
What is the InChIKey of methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate?
The InChIKey is LNKKCCHUDGJNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-11-3-4-15-7(6-11)5-10-8(12)9(13)14-2/h7H,3-6H2,1-2H3,(H,10,12).
What are the key properties of methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate?
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate has a molecular weight of 216.24 g/mol, XLogP of -1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate is sourced from PubChem (CID 112617409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).