amino-(carboxymethyl)-dimethylazanium

C4H11N2O2+ — CID 2349380

IUPACamino-(carboxymethyl)-dimethylazanium
SMILESC[N+](C)(N)CC(=O)O
InChIInChI=1S/C4H10N2O2/c1-6(2,5)3-4(7)8/h3,5H2,1-2H3/p+1
InChIKeyLIVGBSZVCXBCAN-UHFFFAOYSA-O
MW119.14 g/mol
LogP-0.98
Rot. Bonds2

About amino-(carboxymethyl)-dimethylazanium

amino-(carboxymethyl)-dimethylazanium (PubChem CID 2349380) has the molecular formula C4H11N2O2+ and a molecular weight of 119.14 g/mol. Its IUPAC name is amino-(carboxymethyl)-dimethylazanium.

Molecular Properties

Compound Nameamino-(carboxymethyl)-dimethylazanium
PubChem CID2349380
Molecular FormulaC4H11N2O2+
Molecular Weight119.14 g/mol
Exact Mass119.08
IUPAC Nameamino-(carboxymethyl)-dimethylazanium
SMILESC[N+](C)(N)CC(=O)O
InChIInChI=1S/C4H10N2O2/c1-6(2,5)3-4(7)8/h3,5H2,1-2H3/p+1
InChIKeyLIVGBSZVCXBCAN-UHFFFAOYSA-O
XLogP-0.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Related Compounds

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CID 87983
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2-(2,2-Dimethylhydrazinyl)acetic acid
CID 21795931
N-Amino-N-methylalanin
CID 33778688
2-[2-(Carboxymethyl)-2-ethylhydrazinyl]acetic acid
CID 54228678
Hydrazinium, 1-(carboxymethyl)-1,1-dimethyl-, inner salt
CID 2349379
2-[Amino(carboxymethyl)amino]acetic acid;technetium-99
CID 450211
2-[Amino(propan-2-yl)amino]acetic acid
CID 10887948
2-[Amino(2-methylpropyl)amino]acetic acid
CID 10898847
2-[Carboxymethyl(methylamino)amino]acetic acid
CID 15678368
2-[Amino(methyl)amino]propanoic acid
CID 18518837
Carboxymethyl(trimethyl)azanium;hydrazine;chloride
CID 19780036

Frequently Asked Questions

What is the IUPAC name of amino-(carboxymethyl)-dimethylazanium?
The IUPAC name of amino-(carboxymethyl)-dimethylazanium (CID 2349380) is amino-(carboxymethyl)-dimethylazanium.
What is the SMILES notation for amino-(carboxymethyl)-dimethylazanium?
The canonical SMILES for amino-(carboxymethyl)-dimethylazanium is C[N+](C)(N)CC(=O)O.
What is the InChIKey of amino-(carboxymethyl)-dimethylazanium?
The InChIKey is LIVGBSZVCXBCAN-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N2O2/c1-6(2,5)3-4(7)8/h3,5H2,1-2H3/p+1.
What are the key properties of amino-(carboxymethyl)-dimethylazanium?
amino-(carboxymethyl)-dimethylazanium has a molecular weight of 119.14 g/mol, XLogP of -0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(carboxymethyl)-dimethylazanium is sourced from PubChem (CID 2349380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).