[2-hydroxy-3-(methylamino)-3-oxopropyl]-trimethylazanium chloride

C7H17ClN2O2 — CID 87227666

IUPAC[2-hydroxy-3-(methylamino)-3-oxopropyl]-trimethylazanium chloride
SMILESCNC(=O)C(O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C7H16N2O2.ClH/c1-8-7(11)6(10)5-9(2,3)4;/h6,10H,5H2,1-4H3;1H
InChIKeySNPJPVWQFAXWMC-UHFFFAOYSA-N
MW196.68 g/mol
LogP-4.20
Rot. Bonds3

About [2-hydroxy-3-(methylamino)-3-oxopropyl]-trimethylazanium chloride

[2-hydroxy-3-(methylamino)-3-oxopropyl]-trimethylazanium chloride (PubChem CID 87227666) has the molecular formula C7H17ClN2O2 and a molecular weight of 196.68 g/mol. Its IUPAC name is [2-hydroxy-3-(methylamino)-3-oxopropyl]-trimethylazanium chloride.

Molecular Properties

Compound Name[2-hydroxy-3-(methylamino)-3-oxopropyl]-trimethylazanium chloride
PubChem CID87227666
Molecular FormulaC7H17ClN2O2
Molecular Weight196.68 g/mol
Exact Mass196.10
IUPAC Name[2-hydroxy-3-(methylamino)-3-oxopropyl]-trimethylazanium chloride
SMILESCNC(=O)C(O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C7H16N2O2.ClH/c1-8-7(11)6(10)5-9(2,3)4;/h6,10H,5H2,1-4H3;1H
InChIKeySNPJPVWQFAXWMC-UHFFFAOYSA-N
XLogP-4.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 5-4.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(methylamino)-3-oxopropyl]-trimethylazanium chloride?
The IUPAC name of [2-hydroxy-3-(methylamino)-3-oxopropyl]-trimethylazanium chloride (CID 87227666) is [2-hydroxy-3-(methylamino)-3-oxopropyl]-trimethylazanium chloride.
What is the SMILES notation for [2-hydroxy-3-(methylamino)-3-oxopropyl]-trimethylazanium chloride?
The canonical SMILES for [2-hydroxy-3-(methylamino)-3-oxopropyl]-trimethylazanium chloride is CNC(=O)C(O)C[N+](C)(C)C.[Cl-].
What is the InChIKey of [2-hydroxy-3-(methylamino)-3-oxopropyl]-trimethylazanium chloride?
The InChIKey is SNPJPVWQFAXWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2.ClH/c1-8-7(11)6(10)5-9(2,3)4;/h6,10H,5H2,1-4H3;1H.
What are the key properties of [2-hydroxy-3-(methylamino)-3-oxopropyl]-trimethylazanium chloride?
[2-hydroxy-3-(methylamino)-3-oxopropyl]-trimethylazanium chloride has a molecular weight of 196.68 g/mol, XLogP of -4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(methylamino)-3-oxopropyl]-trimethylazanium chloride is sourced from PubChem (CID 87227666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).