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

C10H21N2O2+ — CID 10214553

IUPAC[2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium
SMILESC=C(C)C(=O)NCC(O)C[N+](C)(C)C
InChIInChI=1S/C10H20N2O2/c1-8(2)10(14)11-6-9(13)7-12(3,4)5/h9,13H,1,6-7H2,2-5H3/p+1
InChIKeyVEEFSNBJOSPALL-UHFFFAOYSA-O
MW201.29 g/mol
LogP-0.25
Rot. Bonds5

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

[2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium (PubChem CID 10214553) has the molecular formula C10H21N2O2+ and a molecular weight of 201.29 g/mol. Its IUPAC name is [2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium.

Molecular Properties

Compound Name[2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium
PubChem CID10214553
Molecular FormulaC10H21N2O2+
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC Name[2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium
SMILESC=C(C)C(=O)NCC(O)C[N+](C)(C)C
InChIInChI=1S/C10H20N2O2/c1-8(2)10(14)11-6-9(13)7-12(3,4)5/h9,13H,1,6-7H2,2-5H3/p+1
InChIKeyVEEFSNBJOSPALL-UHFFFAOYSA-O
XLogP-0.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 5-0.25
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?
The IUPAC name of [2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium (CID 10214553) is [2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium.
What is the SMILES notation for [2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium?
The canonical SMILES for [2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium is C=C(C)C(=O)NCC(O)C[N+](C)(C)C.
What is the InChIKey of [2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium?
The InChIKey is VEEFSNBJOSPALL-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)10(14)11-6-9(13)7-12(3,4)5/h9,13H,1,6-7H2,2-5H3/p+1.
What are the key properties of [2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium?
[2-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium has a molecular weight of 201.29 g/mol, XLogP of -0.25, 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 is sourced from PubChem (CID 10214553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).