methyl 3-[[2-(2-methoxyethylamino)acetyl]amino]-2,2-dimethylpropanoate

C11H22N2O4 — CID 119789402

IUPACmethyl 3-[[2-(2-methoxyethylamino)acetyl]amino]-2,2-dimethylpropanoate
SMILESCOCCNCC(=O)NCC(C)(C)C(=O)OC
InChIInChI=1S/C11H22N2O4/c1-11(2,10(15)17-4)8-13-9(14)7-12-5-6-16-3/h12H,5-8H2,1-4H3,(H,13,14)
InChIKeyDNRBBEGJMITREV-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.46
Rot. Bonds8

About methyl 3-[[2-(2-methoxyethylamino)acetyl]amino]-2,2-dimethylpropanoate

methyl 3-[[2-(2-methoxyethylamino)acetyl]amino]-2,2-dimethylpropanoate (PubChem CID 119789402) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 3-[[2-(2-methoxyethylamino)acetyl]amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-methoxyethylamino)acetyl]amino]-2,2-dimethylpropanoate
PubChem CID119789402
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Namemethyl 3-[[2-(2-methoxyethylamino)acetyl]amino]-2,2-dimethylpropanoate
SMILESCOCCNCC(=O)NCC(C)(C)C(=O)OC
InChIInChI=1S/C11H22N2O4/c1-11(2,10(15)17-4)8-13-9(14)7-12-5-6-16-3/h12H,5-8H2,1-4H3,(H,13,14)
InChIKeyDNRBBEGJMITREV-UHFFFAOYSA-N
XLogP-0.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate
CID 79629121
2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646688
N-ethyl-2-(2-methoxyethylamino)acetamide
CID 28565523
ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]acetate
CID 79282629
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119803026
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(2-methoxyethylamino)acetamide
CID 119863471
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide
CID 113219586
N-(2-methoxyethyl)-2-[(2-methoxy-2-methylpropyl)amino]acetamide
CID 104760634
2-(2-methoxyethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79281292
2-(2-methoxyethylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide;hydrochloride
CID 119757019
N-hydroxy-2-(2-methoxyethylamino)acetamide
CID 79282707

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-methoxyethylamino)acetyl]amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[[2-(2-methoxyethylamino)acetyl]amino]-2,2-dimethylpropanoate (CID 119789402) is methyl 3-[[2-(2-methoxyethylamino)acetyl]amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[[2-(2-methoxyethylamino)acetyl]amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[[2-(2-methoxyethylamino)acetyl]amino]-2,2-dimethylpropanoate is COCCNCC(=O)NCC(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-[[2-(2-methoxyethylamino)acetyl]amino]-2,2-dimethylpropanoate?
The InChIKey is DNRBBEGJMITREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-11(2,10(15)17-4)8-13-9(14)7-12-5-6-16-3/h12H,5-8H2,1-4H3,(H,13,14).
What are the key properties of methyl 3-[[2-(2-methoxyethylamino)acetyl]amino]-2,2-dimethylpropanoate?
methyl 3-[[2-(2-methoxyethylamino)acetyl]amino]-2,2-dimethylpropanoate has a molecular weight of 246.31 g/mol, XLogP of -0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-methoxyethylamino)acetyl]amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 119789402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).