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

C8H17NO3 — CID 106939732

IUPACmethyl 3-(2-aminoethoxy)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COCCN
InChIInChI=1S/C8H17NO3/c1-8(2,7(10)11-3)6-12-5-4-9/h4-6,9H2,1-3H3
InChIKeyDZQKYSPHPYRGRA-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.16
Rot. Bonds5

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

methyl 3-(2-aminoethoxy)-2,2-dimethylpropanoate (PubChem CID 106939732) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is methyl 3-(2-aminoethoxy)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-aminoethoxy)-2,2-dimethylpropanoate
PubChem CID106939732
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namemethyl 3-(2-aminoethoxy)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COCCN
InChIInChI=1S/C8H17NO3/c1-8(2,7(10)11-3)6-12-5-4-9/h4-6,9H2,1-3H3
InChIKeyDZQKYSPHPYRGRA-UHFFFAOYSA-N
XLogP0.16
TPSA61.55 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 ≤ 50.16
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 3-(2-aminoethoxy)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(2-aminoethoxy)-2,2-dimethylpropanoate (CID 106939732) is methyl 3-(2-aminoethoxy)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(2-aminoethoxy)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(2-aminoethoxy)-2,2-dimethylpropanoate is COC(=O)C(C)(C)COCCN.
What is the InChIKey of methyl 3-(2-aminoethoxy)-2,2-dimethylpropanoate?
The InChIKey is DZQKYSPHPYRGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-8(2,7(10)11-3)6-12-5-4-9/h4-6,9H2,1-3H3.
What are the key properties of methyl 3-(2-aminoethoxy)-2,2-dimethylpropanoate?
methyl 3-(2-aminoethoxy)-2,2-dimethylpropanoate has a molecular weight of 175.23 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-aminoethoxy)-2,2-dimethylpropanoate is sourced from PubChem (CID 106939732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).