propyl 2-(methylaminooxy)acetate;hydrochloride

C6H14ClNO3 — CID 175521623

IUPACpropyl 2-(methylaminooxy)acetate;hydrochloride
SMILESCCCOC(=O)CONC.Cl
InChIInChI=1S/C6H13NO3.ClH/c1-3-4-9-6(8)5-10-7-2;/h7H,3-5H2,1-2H3;1H
InChIKeyRTFCINOMDFWUBN-UHFFFAOYSA-N
MW183.63 g/mol
LogP0.51
Rot. Bonds5

About propyl 2-(methylaminooxy)acetate;hydrochloride

propyl 2-(methylaminooxy)acetate;hydrochloride (PubChem CID 175521623) has the molecular formula C6H14ClNO3 and a molecular weight of 183.63 g/mol. Its IUPAC name is propyl 2-(methylaminooxy)acetate;hydrochloride.

Molecular Properties

Compound Namepropyl 2-(methylaminooxy)acetate;hydrochloride
PubChem CID175521623
Molecular FormulaC6H14ClNO3
Molecular Weight183.63 g/mol
Exact Mass183.07
IUPAC Namepropyl 2-(methylaminooxy)acetate;hydrochloride
SMILESCCCOC(=O)CONC.Cl
InChIInChI=1S/C6H13NO3.ClH/c1-3-4-9-6(8)5-10-7-2;/h7H,3-5H2,1-2H3;1H
InChIKeyRTFCINOMDFWUBN-UHFFFAOYSA-N
XLogP0.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.63
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(methylaminooxy)acetate
CID 15922728
methyl 2-(methylaminooxy)acetate
CID 87955923
3-oxo-3-propoxypropanoate
CID 71358122
methane;propyl butanoate
CID 157187060
propyl 2-fluoroacetate
CID 24957
propyl 3-(methylamino)prop-2-enoate;hydrochloride
CID 141042044
butane;3-oxo-3-propoxypropanoate
CID 22486022
lithium 3-oxo-3-propoxypropanoate
CID 87491607
hydride;3-oxo-3-propoxypropanoic acid;rubidium(1+)
CID 173091928
propyl carbamate;dihydrochloride
CID 87576214
ethane;propyl N-methylcarbamate
CID 142560404
propyl 3-hydroxypropanoate
CID 12778693

Frequently Asked Questions

What is the IUPAC name of propyl 2-(methylaminooxy)acetate;hydrochloride?
The IUPAC name of propyl 2-(methylaminooxy)acetate;hydrochloride (CID 175521623) is propyl 2-(methylaminooxy)acetate;hydrochloride.
What is the SMILES notation for propyl 2-(methylaminooxy)acetate;hydrochloride?
The canonical SMILES for propyl 2-(methylaminooxy)acetate;hydrochloride is CCCOC(=O)CONC.Cl.
What is the InChIKey of propyl 2-(methylaminooxy)acetate;hydrochloride?
The InChIKey is RTFCINOMDFWUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3.ClH/c1-3-4-9-6(8)5-10-7-2;/h7H,3-5H2,1-2H3;1H.
What are the key properties of propyl 2-(methylaminooxy)acetate;hydrochloride?
propyl 2-(methylaminooxy)acetate;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(methylaminooxy)acetate;hydrochloride is sourced from PubChem (CID 175521623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).