methyl 2-(2-methoxyethylamino)-2-methylpropanoate

C8H17NO3 — CID 575693

IUPACmethyl 2-(2-methoxyethylamino)-2-methylpropanoate
SMILESCOCCNC(C)(C)C(=O)OC
InChIInChI=1S/C8H17NO3/c1-8(2,7(10)12-4)9-5-6-11-3/h9H,5-6H2,1-4H3
InChIKeyNPFDNNPSATYSHI-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.17
Rot. Bonds5

About methyl 2-(2-methoxyethylamino)-2-methylpropanoate

methyl 2-(2-methoxyethylamino)-2-methylpropanoate (PubChem CID 575693) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is methyl 2-(2-methoxyethylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyethylamino)-2-methylpropanoate
PubChem CID575693
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namemethyl 2-(2-methoxyethylamino)-2-methylpropanoate
SMILESCOCCNC(C)(C)C(=O)OC
InChIInChI=1S/C8H17NO3/c1-8(2,7(10)12-4)9-5-6-11-3/h9H,5-6H2,1-4H3
InChIKeyNPFDNNPSATYSHI-UHFFFAOYSA-N
XLogP0.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.17
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyethylamino)-2-methylpropanoate?
The IUPAC name of methyl 2-(2-methoxyethylamino)-2-methylpropanoate (CID 575693) is methyl 2-(2-methoxyethylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(2-methoxyethylamino)-2-methylpropanoate?
The canonical SMILES for methyl 2-(2-methoxyethylamino)-2-methylpropanoate is COCCNC(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-(2-methoxyethylamino)-2-methylpropanoate?
The InChIKey is NPFDNNPSATYSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2,7(10)12-4)9-5-6-11-3/h9H,5-6H2,1-4H3.
What are the key properties of methyl 2-(2-methoxyethylamino)-2-methylpropanoate?
methyl 2-(2-methoxyethylamino)-2-methylpropanoate has a molecular weight of 175.23 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyethylamino)-2-methylpropanoate is sourced from PubChem (CID 575693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).