methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate

C9H19NO3 — CID 79629121

IUPACmethyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate
SMILESCOCCNCC(C)(C)C(=O)OC
InChIInChI=1S/C9H19NO3/c1-9(2,8(11)13-4)7-10-5-6-12-3/h10H,5-7H2,1-4H3
InChIKeyDEUILERGYYMCMS-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.42
Rot. Bonds6

About methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate

methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate (PubChem CID 79629121) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate
PubChem CID79629121
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namemethyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate
SMILESCOCCNCC(C)(C)C(=O)OC
InChIInChI=1S/C9H19NO3/c1-9(2,8(11)13-4)7-10-5-6-12-3/h10H,5-7H2,1-4H3
InChIKeyDEUILERGYYMCMS-UHFFFAOYSA-N
XLogP0.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[2-(2-methoxyethylamino)acetyl]amino]-2,2-dimethylpropanoate
CID 119789402
3-(2-methoxyethylamino)-2,2-dimethylpropanamide
CID 106276159
methyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate
CID 79623662
methyl 2,2-dimethyl-3-(prop-2-enylamino)propanoate
CID 13049576
methyl 2,2-dimethyl-3-(3-methylsulfanylpropylamino)propanoate
CID 79623355
methyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate
CID 114283912
methyl 2,2-dimethyl-3-(3-propoxypropylamino)propanoate
CID 82944131
methyl 5-methoxy-2,2-dimethylpentanoate
CID 89066099
3-(2-methoxyethylamino)-2,2-dimethylpropan-1-ol
CID 81413606
methyl 2,2-dimethyl-3-(2-prop-2-enylsulfanylethylamino)propanoate
CID 106427471
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
methyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate
CID 104645029

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate (CID 79629121) is methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate is COCCNCC(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate?
The InChIKey is DEUILERGYYMCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(2,8(11)13-4)7-10-5-6-12-3/h10H,5-7H2,1-4H3.
What are the key properties of methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate?
methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate has a molecular weight of 189.25 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate is sourced from PubChem (CID 79629121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).