5-carboxypentyl(trimethyl)azanium

C9H20NO2+ — CID 4056838

IUPAC5-carboxypentyl(trimethyl)azanium
SMILESC[N+](C)(C)CCCCCC(=O)O
InChIInChI=1S/C9H19NO2/c1-10(2,3)8-6-4-5-7-9(11)12/h4-8H2,1-3H3/p+1
InChIKeyBGKJBMGXIZZWFR-UHFFFAOYSA-O
MW174.26 g/mol
LogP1.34
Rot. Bonds6

About 5-carboxypentyl(trimethyl)azanium

5-carboxypentyl(trimethyl)azanium (PubChem CID 4056838) has the molecular formula C9H20NO2+ and a molecular weight of 174.26 g/mol. Its IUPAC name is 5-carboxypentyl(trimethyl)azanium.

Molecular Properties

Compound Name5-carboxypentyl(trimethyl)azanium
PubChem CID4056838
Molecular FormulaC9H20NO2+
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name5-carboxypentyl(trimethyl)azanium
SMILESC[N+](C)(C)CCCCCC(=O)O
InChIInChI=1S/C9H19NO2/c1-10(2,3)8-6-4-5-7-9(11)12/h4-8H2,1-3H3/p+1
InChIKeyBGKJBMGXIZZWFR-UHFFFAOYSA-O
XLogP1.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Octadecanoic acid, compd. with N,N-dimethyl-1-octadecanamine (1:1)
CID 84620
4-carboxy-N,N,N-trimethyl-1-butanaminium chloride
CID 70693161
Hexadecanoic acid, compd. with N,N-dimethyl-1-octadecanamine (1:1)
CID 44145843
Tetradecanoic acid, compd. with N,N-dimethyl-1-octadecanamine (1:1)
CID 44150070
Dodecanoic acid, compd. with N,N-dimethyl-1-octadecanamine (1:1)
CID 57346625
6-(Dimethylamino)hexanoic acid
CID 14052847
2,2,6,6-Tetramethyllysine
CID 124784
n,n-Dimethylnorleucine
CID 224392
6-(Trimethylazaniumyl)hexanoate
CID 13257220
5-Carboxy-N,N,N-trimethylpentan-1-aminium chloride
CID 70695230
6-Dimethylamino-4-ketohexanoic acid
CID 415638
1-Pentanaminium, 5-carboxy-N,N,N-triethyl-, chloride
CID 10332420

Frequently Asked Questions

What is the IUPAC name of 5-carboxypentyl(trimethyl)azanium?
The IUPAC name of 5-carboxypentyl(trimethyl)azanium (CID 4056838) is 5-carboxypentyl(trimethyl)azanium.
What is the SMILES notation for 5-carboxypentyl(trimethyl)azanium?
The canonical SMILES for 5-carboxypentyl(trimethyl)azanium is C[N+](C)(C)CCCCCC(=O)O.
What is the InChIKey of 5-carboxypentyl(trimethyl)azanium?
The InChIKey is BGKJBMGXIZZWFR-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19NO2/c1-10(2,3)8-6-4-5-7-9(11)12/h4-8H2,1-3H3/p+1.
What are the key properties of 5-carboxypentyl(trimethyl)azanium?
5-carboxypentyl(trimethyl)azanium has a molecular weight of 174.26 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carboxypentyl(trimethyl)azanium is sourced from PubChem (CID 4056838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).