(2-hydroxy-3-methoxy-3-oxopropyl)-trimethylazanium

C7H16NO3+ — CID 21121189

IUPAC(2-hydroxy-3-methoxy-3-oxopropyl)-trimethylazanium
SMILESCOC(=O)C(O)C[N+](C)(C)C
InChIInChI=1S/C7H16NO3/c1-8(2,3)5-6(9)7(10)11-4/h6,9H,5H2,1-4H3/q+1
InChIKeyWMZZCOBVWYAIGY-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.77
Rot. Bonds3

About (2-hydroxy-3-methoxy-3-oxopropyl)-trimethylazanium

(2-hydroxy-3-methoxy-3-oxopropyl)-trimethylazanium (PubChem CID 21121189) has the molecular formula C7H16NO3+ and a molecular weight of 162.21 g/mol. Its IUPAC name is (2-hydroxy-3-methoxy-3-oxopropyl)-trimethylazanium.

Molecular Properties

Compound Name(2-hydroxy-3-methoxy-3-oxopropyl)-trimethylazanium
PubChem CID21121189
Molecular FormulaC7H16NO3+
Molecular Weight162.21 g/mol
Exact Mass162.11
IUPAC Name(2-hydroxy-3-methoxy-3-oxopropyl)-trimethylazanium
SMILESCOC(=O)C(O)C[N+](C)(C)C
InChIInChI=1S/C7H16NO3/c1-8(2,3)5-6(9)7(10)11-4/h6,9H,5H2,1-4H3/q+1
InChIKeyWMZZCOBVWYAIGY-UHFFFAOYSA-N
XLogP-0.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methanol;methyl 2,3-dihydroxypropanoate
CID 174804143
[2-hydroxy-3-(methylamino)-3-oxopropyl]-trimethylazanium chloride
CID 87227666
methyl 2-hydroxy-3-(methylamino)propanoate
CID 86646378
methyl 2-hydroxypentanoate
CID 543619
methyl 4-bromo-2-hydroxybutanoate
CID 19019154
methyl (2R)-2-hydroxy-4,4-dimethylpentanoate
CID 59424547
methyl 2-hydroxy-3-(propan-2-ylamino)propanoate
CID 103491574
methyl (2S)-3-[bis(phosphanyl)amino]-2-hydroxypropanoate
CID 126656088
methyl (5R)-5-amino-2-hydroxy-4-oxohexanoate
CID 174417154
(4-fluoro-2-hydroxy-3-oxobutyl)-trimethylazanium bromide
CID 21119946
methyl (2S)-2-hydroxy-5,5-dimethyl-4-oxohexanoate
CID 155654768
(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid
CID 92975324

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methoxy-3-oxopropyl)-trimethylazanium?
The IUPAC name of (2-hydroxy-3-methoxy-3-oxopropyl)-trimethylazanium (CID 21121189) is (2-hydroxy-3-methoxy-3-oxopropyl)-trimethylazanium.
What is the SMILES notation for (2-hydroxy-3-methoxy-3-oxopropyl)-trimethylazanium?
The canonical SMILES for (2-hydroxy-3-methoxy-3-oxopropyl)-trimethylazanium is COC(=O)C(O)C[N+](C)(C)C.
What is the InChIKey of (2-hydroxy-3-methoxy-3-oxopropyl)-trimethylazanium?
The InChIKey is WMZZCOBVWYAIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO3/c1-8(2,3)5-6(9)7(10)11-4/h6,9H,5H2,1-4H3/q+1.
What are the key properties of (2-hydroxy-3-methoxy-3-oxopropyl)-trimethylazanium?
(2-hydroxy-3-methoxy-3-oxopropyl)-trimethylazanium has a molecular weight of 162.21 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-methoxy-3-oxopropyl)-trimethylazanium is sourced from PubChem (CID 21121189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).