[(2R)-3-carboxy-2-nitrosooxypropyl]-trimethylazanium

C7H15N2O4+ — CID 11345811

IUPAC[(2R)-3-carboxy-2-nitrosooxypropyl]-trimethylazanium
SMILESC[N+](C)(C)C[C@@H](CC(=O)O)ON=O
InChIInChI=1S/C7H14N2O4/c1-9(2,3)5-6(13-8-12)4-7(10)11/h6H,4-5H2,1-3H3/p+1/t6-/m1/s1
InChIKeyLBLVBQPASCJWDO-ZCFIWIBFSA-O
MW191.21 g/mol
LogP0.23
Rot. Bonds6

About [(2R)-3-carboxy-2-nitrosooxypropyl]-trimethylazanium

[(2R)-3-carboxy-2-nitrosooxypropyl]-trimethylazanium (PubChem CID 11345811) has the molecular formula C7H15N2O4+ and a molecular weight of 191.21 g/mol. Its IUPAC name is [(2R)-3-carboxy-2-nitrosooxypropyl]-trimethylazanium.

Molecular Properties

Compound Name[(2R)-3-carboxy-2-nitrosooxypropyl]-trimethylazanium
PubChem CID11345811
Molecular FormulaC7H15N2O4+
Molecular Weight191.21 g/mol
Exact Mass191.10
IUPAC Name[(2R)-3-carboxy-2-nitrosooxypropyl]-trimethylazanium
SMILESC[N+](C)(C)C[C@@H](CC(=O)O)ON=O
InChIInChI=1S/C7H14N2O4/c1-9(2,3)5-6(13-8-12)4-7(10)11/h6H,4-5H2,1-3H3/p+1/t6-/m1/s1
InChIKeyLBLVBQPASCJWDO-ZCFIWIBFSA-O
XLogP0.23
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

trimethyl-(2-nitrosooxy-4-oxo-4-sulfanylbutyl)azanium
CID 87774578
(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
[(2R)-2-aminooxy-3-carboxypropyl]-trimethylazanium;hydrochloride
CID 174619821
[(2S)-2-acetyloxy-3-carboxypropyl]-trimethylazanium
CID 18231
[(2R)-2-acetyloxy-3-carboxypropyl]-trimethylazanium
CID 71309457
(2-acetyloxy-3-carboxypropyl)-trimethylazanium bromide
CID 85078131
(3-carboxy-2-methylsulfonyloxypropyl)-trimethylazanium
CID 5071776
[(2S)-3-carboxy-2-[(E)-4-[(2S)-1-carboxy-3-(trimethylazaniumyl)propan-2-yl]oxy-4-oxobut-2-enoyl]oxypropyl]-trimethylazanium
CID 53252491
[(2R)-3-carboxy-2-propan-2-ylsulfanylcarbonyloxypropyl]-trimethylazanium
CID 167418351
[(2R)-2-tert-butylsulfanylcarbonyloxy-3-carboxypropyl]-trimethylazanium
CID 167380961
[(2R)-3-carboxy-2-nitroperoxypropyl]-trimethylazanium
CID 87882387

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-carboxy-2-nitrosooxypropyl]-trimethylazanium?
The IUPAC name of [(2R)-3-carboxy-2-nitrosooxypropyl]-trimethylazanium (CID 11345811) is [(2R)-3-carboxy-2-nitrosooxypropyl]-trimethylazanium.
What is the SMILES notation for [(2R)-3-carboxy-2-nitrosooxypropyl]-trimethylazanium?
The canonical SMILES for [(2R)-3-carboxy-2-nitrosooxypropyl]-trimethylazanium is C[N+](C)(C)C[C@@H](CC(=O)O)ON=O.
What is the InChIKey of [(2R)-3-carboxy-2-nitrosooxypropyl]-trimethylazanium?
The InChIKey is LBLVBQPASCJWDO-ZCFIWIBFSA-O. The full InChI is InChI=1S/C7H14N2O4/c1-9(2,3)5-6(13-8-12)4-7(10)11/h6H,4-5H2,1-3H3/p+1/t6-/m1/s1.
What are the key properties of [(2R)-3-carboxy-2-nitrosooxypropyl]-trimethylazanium?
[(2R)-3-carboxy-2-nitrosooxypropyl]-trimethylazanium has a molecular weight of 191.21 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-carboxy-2-nitrosooxypropyl]-trimethylazanium is sourced from PubChem (CID 11345811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).