4-aminobutyl-(carboxymethyl)-dimethylazanium

C8H19N2O2+ — CID 151662160

IUPAC4-aminobutyl-(carboxymethyl)-dimethylazanium
SMILESC[N+](C)(CCCCN)CC(=O)O
InChIInChI=1S/C8H18N2O2/c1-10(2,7-8(11)12)6-4-3-5-9/h3-7,9H2,1-2H3/p+1
InChIKeyQWTMZADNXWVHDG-UHFFFAOYSA-O
MW175.25 g/mol
LogP-0.11
Rot. Bonds6

About 4-aminobutyl-(carboxymethyl)-dimethylazanium

4-aminobutyl-(carboxymethyl)-dimethylazanium (PubChem CID 151662160) has the molecular formula C8H19N2O2+ and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-aminobutyl-(carboxymethyl)-dimethylazanium.

Molecular Properties

Compound Name4-aminobutyl-(carboxymethyl)-dimethylazanium
PubChem CID151662160
Molecular FormulaC8H19N2O2+
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name4-aminobutyl-(carboxymethyl)-dimethylazanium
SMILESC[N+](C)(CCCCN)CC(=O)O
InChIInChI=1S/C8H18N2O2/c1-10(2,7-8(11)12)6-4-3-5-9/h3-7,9H2,1-2H3/p+1
InChIKeyQWTMZADNXWVHDG-UHFFFAOYSA-O
XLogP-0.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N,N-bis[(3-amino)propyl]glycine
CID 15799499
Butyl-(carboxymethyl)-dimethylazanium chloride
CID 44366677
n-(4-Aminobutyl)glycine
CID 10909707
NoName_600
CID 413376
Glycine, N-propyl-
CID 414243
((6-((Carboxymethyl)amino)hexyl)amino)acetic acid
CID 414436
2-(Hexylamino)acetic acid
CID 413377
Di-n-butylglycine
CID 239818
2-(dipropylamino)acetic Acid
CID 10236027
1,4,8,11-Tetraazacyclotetradecane-1-acetic acid
CID 10858164
2-[(5-Aminopentyl)amino]acetic Acid
CID 10920818
3,7-Di-aza octanoic acid
CID 11789345

Frequently Asked Questions

What is the IUPAC name of 4-aminobutyl-(carboxymethyl)-dimethylazanium?
The IUPAC name of 4-aminobutyl-(carboxymethyl)-dimethylazanium (CID 151662160) is 4-aminobutyl-(carboxymethyl)-dimethylazanium.
What is the SMILES notation for 4-aminobutyl-(carboxymethyl)-dimethylazanium?
The canonical SMILES for 4-aminobutyl-(carboxymethyl)-dimethylazanium is C[N+](C)(CCCCN)CC(=O)O.
What is the InChIKey of 4-aminobutyl-(carboxymethyl)-dimethylazanium?
The InChIKey is QWTMZADNXWVHDG-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H18N2O2/c1-10(2,7-8(11)12)6-4-3-5-9/h3-7,9H2,1-2H3/p+1.
What are the key properties of 4-aminobutyl-(carboxymethyl)-dimethylazanium?
4-aminobutyl-(carboxymethyl)-dimethylazanium has a molecular weight of 175.25 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutyl-(carboxymethyl)-dimethylazanium is sourced from PubChem (CID 151662160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).