2-aminooxyethyl 2,2-dimethylpropanoate

C7H15NO3 — CID 130209024

IUPAC2-aminooxyethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCON
InChIInChI=1S/C7H15NO3/c1-7(2,3)6(9)10-4-5-11-8/h4-5,8H2,1-3H3
InChIKeyYATQHAHMPHISSI-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.47
Rot. Bonds3

About 2-aminooxyethyl 2,2-dimethylpropanoate

2-aminooxyethyl 2,2-dimethylpropanoate (PubChem CID 130209024) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-aminooxyethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-aminooxyethyl 2,2-dimethylpropanoate
PubChem CID130209024
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-aminooxyethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCON
InChIInChI=1S/C7H15NO3/c1-7(2,3)6(9)10-4-5-11-8/h4-5,8H2,1-3H3
InChIKeyYATQHAHMPHISSI-UHFFFAOYSA-N
XLogP0.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2,2-trifluoroacetyl)oxyethyl 2,2-dimethylpropanoate
CID 90159990
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632
2-(2,2-dimethylpropanoyloxy)ethyl 4-oxopentanoate
CID 122591225
2-prop-2-enoxyethyl 2,2-dimethylpropanoate
CID 89277080
2-(2,2-dimethylpropanoyloxy)ethyl 4,4-dimethylpentanoate
CID 177089265
2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate
CID 88970613
3,3,3-trichloropropyl 2,2-dimethylpropanoate
CID 173447472
3,3-difluorobutyl 2,2-dimethylpropanoate
CID 58568306
(3-chloro-3-oxopropyl) 2,2-dimethylpropanoate
CID 135073492
heptadecyl 2,2-dimethylpropanoate
CID 568514
2-(2,2-dimethylpropanoyloxy)ethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate
CID 90159965
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550

Frequently Asked Questions

What is the IUPAC name of 2-aminooxyethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-aminooxyethyl 2,2-dimethylpropanoate (CID 130209024) is 2-aminooxyethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-aminooxyethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-aminooxyethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCON.
What is the InChIKey of 2-aminooxyethyl 2,2-dimethylpropanoate?
The InChIKey is YATQHAHMPHISSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(2,3)6(9)10-4-5-11-8/h4-5,8H2,1-3H3.
What are the key properties of 2-aminooxyethyl 2,2-dimethylpropanoate?
2-aminooxyethyl 2,2-dimethylpropanoate has a molecular weight of 161.20 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxyethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 130209024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).