2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride

C10H22ClNO3 — CID 175459038

IUPAC2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride
SMILESC=C(C)C(=O)[O-].CC(O)C[N+](C)(C)C.Cl
InChIInChI=1S/C6H16NO.C4H6O2.ClH/c1-6(8)5-7(2,3)4;1-3(2)4(5)6;/h6,8H,5H2,1-4H3;1H2,2H3,(H,5,6);1H/q+1;;/p-1
InChIKeySMNMHKFIYRHKPP-UHFFFAOYSA-M
MW239.74 g/mol
LogP-0.19
Rot. Bonds3

About 2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride

2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride (PubChem CID 175459038) has the molecular formula C10H22ClNO3 and a molecular weight of 239.74 g/mol. Its IUPAC name is 2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride.

Molecular Properties

Compound Name2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride
PubChem CID175459038
Molecular FormulaC10H22ClNO3
Molecular Weight239.74 g/mol
Exact Mass239.13
IUPAC Name2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride
SMILESC=C(C)C(=O)[O-].CC(O)C[N+](C)(C)C.Cl
InChIInChI=1S/C6H16NO.C4H6O2.ClH/c1-6(8)5-7(2,3)4;1-3(2)4(5)6;/h6,8H,5H2,1-4H3;1H2,2H3,(H,5,6);1H/q+1;;/p-1
InChIKeySMNMHKFIYRHKPP-UHFFFAOYSA-M
XLogP-0.19
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.74
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

carbonic acid;2-hydroxypropyl(trimethyl)azanium
CID 174974136
2-hydroxypropyl(trimethyl)azanium iodide
CID 10263892
bis(2-hydroxypropyl(trimethyl)azanium);dichloride;hydrate
CID 173377336
CID 159432817
CID 159432817
2-methylprop-2-enoate
CID 19005746
2-hydroxypropyl(trimethyl)azanium;perchloric acid
CID 87344465
2-hydroxypropyl(trimethyl)azanium;octadecanoate
CID 141310032
2-hydroxypropyl(trimethyl)azanium;prop-2-enamide;chloride
CID 160609896
N,N-dimethylmethanamine;2-hydroxypropyl(trimethyl)azanium
CID 87756343
azane;formic acid;2-hydroxypropyl(trimethyl)azanium
CID 174711582
(3-chloro-2-hydroxypropyl)-trimethylazanium;acetate;hydrochloride
CID 21150043
bis(3-aminopropyl(trimethyl)azanium);2-methylprop-2-enoate;chloride
CID 160769197

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride?
The IUPAC name of 2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride (CID 175459038) is 2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride.
What is the SMILES notation for 2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride?
The canonical SMILES for 2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride is C=C(C)C(=O)[O-].CC(O)C[N+](C)(C)C.Cl.
What is the InChIKey of 2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride?
The InChIKey is SMNMHKFIYRHKPP-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16NO.C4H6O2.ClH/c1-6(8)5-7(2,3)4;1-3(2)4(5)6;/h6,8H,5H2,1-4H3;1H2,2H3,(H,5,6);1H/q+1;;/p-1.
What are the key properties of 2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride?
2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride has a molecular weight of 239.74 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl(trimethyl)azanium;2-methylprop-2-enoate;hydrochloride is sourced from PubChem (CID 175459038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).