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

C10H21ClN2O2 — CID 19800671

IUPAC[3-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride
SMILESC=C(C)C(=O)NC(O)CC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H20N2O2.ClH/c1-8(2)10(14)11-9(13)6-7-12(3,4)5;/h9,13H,1,6-7H2,2-5H3;1H
InChIKeyIASKSVCCTPIVID-UHFFFAOYSA-N
MW236.74 g/mol
LogP-2.90
Rot. Bonds5

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

[3-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride (PubChem CID 19800671) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is [3-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride.

Molecular Properties

Compound Name[3-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride
PubChem CID19800671
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Name[3-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride
SMILESC=C(C)C(=O)NC(O)CC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H20N2O2.ClH/c1-8(2)10(14)11-9(13)6-7-12(3,4)5;/h9,13H,1,6-7H2,2-5H3;1H
InChIKeyIASKSVCCTPIVID-UHFFFAOYSA-N
XLogP-2.90
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 ≤ 5-2.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-Hydroxypropyl)-2-methylprop-2-enamide
CID 9793811
N,N'-(2-hydroxypropane-1,3-diyl)bis(2-methylprop-2-enamide)
CID 20205156
2-Carboxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 12851418
N-(1,3-dihydroxypropyl) methacrylamide
CID 18783191
Ethenol;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 87126587
2-Hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 172681
2-Hydroxy-N1,N1,N1,N3,N3-pentamethyl-N3-{3-[(2-methylacryloyl)amino]propyl}propane-1,3-bis(aminium) dichloride
CID 13177836
2-Hydroxy-N1,N1,N1,N3,N3-pentamethyl-N3-{3-[(2-methylacryloyl)amino]propyl}propane-1,3-bis(aminium)
CID 13177837
2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-propylprop-2-enamide
CID 172623669
[2-Hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride
CID 10214552
[2-Hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium
CID 10214553
N-(3-hydroxy-2,2-dimethylpropyl)-2-methylprop-2-enamide
CID 13531437

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride?
The IUPAC name of [3-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride (CID 19800671) is [3-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride.
What is the SMILES notation for [3-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride?
The canonical SMILES for [3-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride is C=C(C)C(=O)NC(O)CC[N+](C)(C)C.[Cl-].
What is the InChIKey of [3-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride?
The InChIKey is IASKSVCCTPIVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-8(2)10(14)11-9(13)6-7-12(3,4)5;/h9,13H,1,6-7H2,2-5H3;1H.
What are the key properties of [3-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride?
[3-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride has a molecular weight of 236.74 g/mol, XLogP of -2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride is sourced from PubChem (CID 19800671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).