[2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride

C10H21ClN2O2 — CID 10214552

IUPAC[2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride
SMILESC=C(C)C(=O)NCC(O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H20N2O2.ClH/c1-8(2)10(14)11-6-9(13)7-12(3,4)5;/h9,13H,1,6-7H2,2-5H3;1H
InChIKeyKWPFCFVFZWFGOJ-UHFFFAOYSA-N
MW236.74 g/mol
LogP-3.25
Rot. Bonds5

About [2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride

[2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride (PubChem CID 10214552) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is [2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride.

Molecular Properties

Compound Name[2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride
PubChem CID10214552
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Name[2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride
SMILESC=C(C)C(=O)NCC(O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H20N2O2.ClH/c1-8(2)10(14)11-6-9(13)7-12(3,4)5;/h9,13H,1,6-7H2,2-5H3;1H
InChIKeyKWPFCFVFZWFGOJ-UHFFFAOYSA-N
XLogP-3.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 5-3.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride?
The IUPAC name of [2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride (CID 10214552) is [2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride.
What is the SMILES notation for [2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride?
The canonical SMILES for [2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride is C=C(C)C(=O)NCC(O)C[N+](C)(C)C.[Cl-].
What is the InChIKey of [2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride?
The InChIKey is KWPFCFVFZWFGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-8(2)10(14)11-6-9(13)7-12(3,4)5;/h9,13H,1,6-7H2,2-5H3;1H.
What are the key properties of [2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride?
[2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride has a molecular weight of 236.74 g/mol, XLogP of -3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride is sourced from PubChem (CID 10214552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).