[(2R)-2-aminooxy-3-carboxypropyl]-trimethylazanium;hydrochloride

C7H18ClN2O3+ — CID 174619821

IUPAC[(2R)-2-aminooxy-3-carboxypropyl]-trimethylazanium;hydrochloride
SMILESC[N+](C)(C)C[C@@H](CC(=O)O)ON.Cl
InChIInChI=1S/C7H16N2O3.ClH/c1-9(2,3)5-6(12-8)4-7(10)11;/h6H,4-5,8H2,1-3H3;1H/p+1/t6-;/m1./s1
InChIKeyVJUVMUDQVCFOPG-FYZOBXCZSA-O
MW213.68 g/mol
LogP-0.15
Rot. Bonds5

About [(2R)-2-aminooxy-3-carboxypropyl]-trimethylazanium;hydrochloride

[(2R)-2-aminooxy-3-carboxypropyl]-trimethylazanium;hydrochloride (PubChem CID 174619821) has the molecular formula C7H18ClN2O3+ and a molecular weight of 213.68 g/mol. Its IUPAC name is [(2R)-2-aminooxy-3-carboxypropyl]-trimethylazanium;hydrochloride.

Molecular Properties

Compound Name[(2R)-2-aminooxy-3-carboxypropyl]-trimethylazanium;hydrochloride
PubChem CID174619821
Molecular FormulaC7H18ClN2O3+
Molecular Weight213.68 g/mol
Exact Mass213.10
IUPAC Name[(2R)-2-aminooxy-3-carboxypropyl]-trimethylazanium;hydrochloride
SMILESC[N+](C)(C)C[C@@H](CC(=O)O)ON.Cl
InChIInChI=1S/C7H16N2O3.ClH/c1-9(2,3)5-6(12-8)4-7(10)11;/h6H,4-5,8H2,1-3H3;1H/p+1/t6-;/m1./s1
InChIKeyVJUVMUDQVCFOPG-FYZOBXCZSA-O
XLogP-0.15
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-aminooxy-4-(trimethylazaniumyl)butanoate
CID 57347276
(3-carboxy-2-methoxypropyl)-trimethylazanium
CID 10219645
[(2R)-3-carboxy-2-[2-[(2R)-1-carboxy-3-(trimethylazaniumyl)propan-2-yl]oxy-2-oxoacetyl]oxypropyl]-trimethylazanium
CID 174457270
[(2S)-3-carboxy-2-[(E)-4-[(2S)-1-carboxy-3-(trimethylazaniumyl)propan-2-yl]oxy-4-oxobut-2-enoyl]oxypropyl]-trimethylazanium
CID 53252491
[(2S)-2-acetyloxy-3-carboxypropyl]-trimethylazanium
CID 18231
[(2R)-2-acetyloxy-3-carboxypropyl]-trimethylazanium
CID 71309457
[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxy-3-carboxypropyl]-trimethylazanium;hydrochloride
CID 174606906
[(2R)-3-carboxy-2-nitrosooxypropyl]-trimethylazanium
CID 11345811
(2-acetyloxy-3-carboxypropyl)-trimethylazanium bromide
CID 85078131
(3-carboxy-2-methylsulfonyloxypropyl)-trimethylazanium
CID 5071776
[(2R)-2-acetyloxy-3-carboxypropyl]-trimethylazanium;(E)-but-2-enedioic acid
CID 10286492
[(2R)-3-carboxy-2-nitroperoxypropyl]-trimethylazanium
CID 87882387

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-aminooxy-3-carboxypropyl]-trimethylazanium;hydrochloride?
The IUPAC name of [(2R)-2-aminooxy-3-carboxypropyl]-trimethylazanium;hydrochloride (CID 174619821) is [(2R)-2-aminooxy-3-carboxypropyl]-trimethylazanium;hydrochloride.
What is the SMILES notation for [(2R)-2-aminooxy-3-carboxypropyl]-trimethylazanium;hydrochloride?
The canonical SMILES for [(2R)-2-aminooxy-3-carboxypropyl]-trimethylazanium;hydrochloride is C[N+](C)(C)C[C@@H](CC(=O)O)ON.Cl.
What is the InChIKey of [(2R)-2-aminooxy-3-carboxypropyl]-trimethylazanium;hydrochloride?
The InChIKey is VJUVMUDQVCFOPG-FYZOBXCZSA-O. The full InChI is InChI=1S/C7H16N2O3.ClH/c1-9(2,3)5-6(12-8)4-7(10)11;/h6H,4-5,8H2,1-3H3;1H/p+1/t6-;/m1./s1.
What are the key properties of [(2R)-2-aminooxy-3-carboxypropyl]-trimethylazanium;hydrochloride?
[(2R)-2-aminooxy-3-carboxypropyl]-trimethylazanium;hydrochloride has a molecular weight of 213.68 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-aminooxy-3-carboxypropyl]-trimethylazanium;hydrochloride is sourced from PubChem (CID 174619821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).