carboxymethyl(trimethyl)azanium;hydrazine;chloride

C5H16ClN3O2 — CID 19780036

IUPACcarboxymethyl(trimethyl)azanium;hydrazine;chloride
SMILESC[N+](C)(C)CC(=O)O.NN.[Cl-]
InChIInChI=1S/C5H11NO2.ClH.H4N2/c1-6(2,3)4-5(7)8;;1-2/h4H2,1-3H3;1H;1-2H2
InChIKeyICLSVWGKWMRCHG-UHFFFAOYSA-N
MW185.66 g/mol
LogP-4.40
Rot. Bonds2

About carboxymethyl(trimethyl)azanium;hydrazine;chloride

carboxymethyl(trimethyl)azanium;hydrazine;chloride (PubChem CID 19780036) has the molecular formula C5H16ClN3O2 and a molecular weight of 185.66 g/mol. Its IUPAC name is carboxymethyl(trimethyl)azanium;hydrazine;chloride.

Molecular Properties

Compound Namecarboxymethyl(trimethyl)azanium;hydrazine;chloride
PubChem CID19780036
Molecular FormulaC5H16ClN3O2
Molecular Weight185.66 g/mol
Exact Mass185.09
IUPAC Namecarboxymethyl(trimethyl)azanium;hydrazine;chloride
SMILESC[N+](C)(C)CC(=O)O.NN.[Cl-]
InChIInChI=1S/C5H11NO2.ClH.H4N2/c1-6(2,3)4-5(7)8;;1-2/h4H2,1-3H3;1H;1-2H2
InChIKeyICLSVWGKWMRCHG-UHFFFAOYSA-N
XLogP-4.40
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 5-4.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carboxymethyl(trimethyl)azanium;hydrazine;chloride?
The IUPAC name of carboxymethyl(trimethyl)azanium;hydrazine;chloride (CID 19780036) is carboxymethyl(trimethyl)azanium;hydrazine;chloride.
What is the SMILES notation for carboxymethyl(trimethyl)azanium;hydrazine;chloride?
The canonical SMILES for carboxymethyl(trimethyl)azanium;hydrazine;chloride is C[N+](C)(C)CC(=O)O.NN.[Cl-].
What is the InChIKey of carboxymethyl(trimethyl)azanium;hydrazine;chloride?
The InChIKey is ICLSVWGKWMRCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH.H4N2/c1-6(2,3)4-5(7)8;;1-2/h4H2,1-3H3;1H;1-2H2.
What are the key properties of carboxymethyl(trimethyl)azanium;hydrazine;chloride?
carboxymethyl(trimethyl)azanium;hydrazine;chloride has a molecular weight of 185.66 g/mol, XLogP of -4.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl(trimethyl)azanium;hydrazine;chloride is sourced from PubChem (CID 19780036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).