dicarboxy-(3-methoxypropyl)-methylazanium

C7H14NO5+ — CID 19962705

IUPACdicarboxy-(3-methoxypropyl)-methylazanium
SMILESCOCCC[N+](C)(C(=O)O)C(=O)O
InChIInChI=1S/C7H13NO5/c1-8(6(9)10,7(11)12)4-3-5-13-2/h3-5H2,1-2H3,(H-,9,10,11,12)/p+1
InChIKeyDFJOBPIWKIVZEL-UHFFFAOYSA-O
MW192.19 g/mol
LogP0.83
Rot. Bonds4

About dicarboxy-(3-methoxypropyl)-methylazanium

dicarboxy-(3-methoxypropyl)-methylazanium (PubChem CID 19962705) has the molecular formula C7H14NO5+ and a molecular weight of 192.19 g/mol. Its IUPAC name is dicarboxy-(3-methoxypropyl)-methylazanium.

Molecular Properties

Compound Namedicarboxy-(3-methoxypropyl)-methylazanium
PubChem CID19962705
Molecular FormulaC7H14NO5+
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Namedicarboxy-(3-methoxypropyl)-methylazanium
SMILESCOCCC[N+](C)(C(=O)O)C(=O)O
InChIInChI=1S/C7H13NO5/c1-8(6(9)10,7(11)12)4-3-5-13-2/h3-5H2,1-2H3,(H-,9,10,11,12)/p+1
InChIKeyDFJOBPIWKIVZEL-UHFFFAOYSA-O
XLogP0.83
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;3-methoxypropan-1-ol
CID 71363248
methane;3-methoxypropyl(trimethyl)azanium
CID 159181056
5-carboxypentyl-(2-methoxyethyl)-dimethylazanium;hydrochloride
CID 161408438
4-(3-methoxypropoxy)butanoic acid
CID 60918159
carboxymethyl-(2-methoxyethyl)-dimethylazanium
CID 118019684
4-(7-methoxyheptoxy)butanoic acid
CID 15409527
tris(2-methoxyethyl)-(3-methoxypropyl)azanium
CID 71320742
1,8-dimethoxyoctane-4,5-dione
CID 139993978
bis(bis(2-methoxyethyl)-dimethylazanium);carbonate
CID 87147133
tris(2-methoxyethyl)-(3-methoxypropyl)azanium iodide
CID 71320741
4-methoxybutanamide
CID 22414177
8-bromooctanoic acid;8-methoxyoctanoic acid
CID 159933343

Frequently Asked Questions

What is the IUPAC name of dicarboxy-(3-methoxypropyl)-methylazanium?
The IUPAC name of dicarboxy-(3-methoxypropyl)-methylazanium (CID 19962705) is dicarboxy-(3-methoxypropyl)-methylazanium.
What is the SMILES notation for dicarboxy-(3-methoxypropyl)-methylazanium?
The canonical SMILES for dicarboxy-(3-methoxypropyl)-methylazanium is COCCC[N+](C)(C(=O)O)C(=O)O.
What is the InChIKey of dicarboxy-(3-methoxypropyl)-methylazanium?
The InChIKey is DFJOBPIWKIVZEL-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13NO5/c1-8(6(9)10,7(11)12)4-3-5-13-2/h3-5H2,1-2H3,(H-,9,10,11,12)/p+1.
What are the key properties of dicarboxy-(3-methoxypropyl)-methylazanium?
dicarboxy-(3-methoxypropyl)-methylazanium has a molecular weight of 192.19 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dicarboxy-(3-methoxypropyl)-methylazanium is sourced from PubChem (CID 19962705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).