3-carboxypropyl(trimethyl)azanium perchlorate

C7H16ClNO6 — CID 71383085

IUPAC3-carboxypropyl(trimethyl)azanium perchlorate
SMILESC[N+](C)(C)CCCC(=O)O.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C7H15NO2.ClHO4/c1-8(2,3)6-4-5-7(9)10;2-1(3,4)5/h4-6H2,1-3H3;(H,2,3,4,5)
InChIKeyDMTRHJUVCFCAMP-UHFFFAOYSA-N
MW245.66 g/mol
LogP-4.20
Rot. Bonds4

About 3-carboxypropyl(trimethyl)azanium perchlorate

3-carboxypropyl(trimethyl)azanium perchlorate (PubChem CID 71383085) has the molecular formula C7H16ClNO6 and a molecular weight of 245.66 g/mol. Its IUPAC name is 3-carboxypropyl(trimethyl)azanium perchlorate.

Molecular Properties

Compound Name3-carboxypropyl(trimethyl)azanium perchlorate
PubChem CID71383085
Molecular FormulaC7H16ClNO6
Molecular Weight245.66 g/mol
Exact Mass245.07
IUPAC Name3-carboxypropyl(trimethyl)azanium perchlorate
SMILESC[N+](C)(C)CCCC(=O)O.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C7H15NO2.ClHO4/c1-8(2,3)6-4-5-7(9)10;2-1(3,4)5/h4-6H2,1-3H3;(H,2,3,4,5)
InChIKeyDMTRHJUVCFCAMP-UHFFFAOYSA-N
XLogP-4.20
TPSA129.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 5-4.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-carboxypropyl(trimethyl)azanium perchlorate?
The IUPAC name of 3-carboxypropyl(trimethyl)azanium perchlorate (CID 71383085) is 3-carboxypropyl(trimethyl)azanium perchlorate.
What is the SMILES notation for 3-carboxypropyl(trimethyl)azanium perchlorate?
The canonical SMILES for 3-carboxypropyl(trimethyl)azanium perchlorate is C[N+](C)(C)CCCC(=O)O.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 3-carboxypropyl(trimethyl)azanium perchlorate?
The InChIKey is DMTRHJUVCFCAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClHO4/c1-8(2,3)6-4-5-7(9)10;2-1(3,4)5/h4-6H2,1-3H3;(H,2,3,4,5).
What are the key properties of 3-carboxypropyl(trimethyl)azanium perchlorate?
3-carboxypropyl(trimethyl)azanium perchlorate has a molecular weight of 245.66 g/mol, XLogP of -4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carboxypropyl(trimethyl)azanium perchlorate is sourced from PubChem (CID 71383085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).