methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate

C10H20N2O4 — CID 55028897

IUPACmethyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate
SMILESCOCCNC(=O)C(C)N(C)CC(=O)OC
InChIInChI=1S/C10H20N2O4/c1-8(10(14)11-5-6-15-3)12(2)7-9(13)16-4/h8H,5-7H2,1-4H3,(H,11,14)
InChIKeyVSABTOFDNAGYOQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.76
Rot. Bonds7

About methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate

methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate (PubChem CID 55028897) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate
PubChem CID55028897
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Namemethyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate
SMILESCOCCNC(=O)C(C)N(C)CC(=O)OC
InChIInChI=1S/C10H20N2O4/c1-8(10(14)11-5-6-15-3)12(2)7-9(13)16-4/h8H,5-7H2,1-4H3,(H,11,14)
InChIKeyVSABTOFDNAGYOQ-UHFFFAOYSA-N
XLogP-0.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60720984
methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate
CID 60677105
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953645
2-[2-hydroxypropyl(methyl)amino]-N-(2-methoxyethyl)propanamide
CID 62334710
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62012910
N-(2-methoxyethyl)-2-[methyl(3-oxobutan-2-yl)amino]acetamide
CID 60680902
methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate
CID 115688695
2-[2-(2-hydroxyethoxy)ethyl-methylamino]-N-(2-methoxyethyl)propanamide
CID 114243601
methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60677092
N-(2-methoxyethyl)-2-[methyl(3-oxopentan-2-yl)amino]acetamide
CID 64866282
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60670343
2-(2,2-dimethylhydrazinyl)-N-(2-methoxyethyl)propanamide
CID 83013633

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate?
The IUPAC name of methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate (CID 55028897) is methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate is COCCNC(=O)C(C)N(C)CC(=O)OC.
What is the InChIKey of methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate?
The InChIKey is VSABTOFDNAGYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-8(10(14)11-5-6-15-3)12(2)7-9(13)16-4/h8H,5-7H2,1-4H3,(H,11,14).
What are the key properties of methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate?
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate has a molecular weight of 232.28 g/mol, XLogP of -0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate is sourced from PubChem (CID 55028897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).