sodium;dodecane;2-(methylamino)acetic acid

C15H32NNaO2 — CID 174330341

IUPACsodium;dodecane;2-(methylamino)acetic acid
SMILESCNCC(=O)O.[CH2-]CCCCCCCCCCC.[Na+]
InChIInChI=1S/C12H25.C3H7NO2.Na/c1-3-5-7-9-11-12-10-8-6-4-2;1-4-2-3(5)6;/h1,3-12H2,2H3;4H,2H2,1H3,(H,5,6);/q-1;;+1
InChIKeyHSLZNXCFAAQLRG-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.04
Rot. Bonds11

About sodium;dodecane;2-(methylamino)acetic acid

sodium;dodecane;2-(methylamino)acetic acid (PubChem CID 174330341) has the molecular formula C15H32NNaO2 and a molecular weight of 281.42 g/mol. Its IUPAC name is sodium;dodecane;2-(methylamino)acetic acid.

Molecular Properties

Compound Namesodium;dodecane;2-(methylamino)acetic acid
PubChem CID174330341
Molecular FormulaC15H32NNaO2
Molecular Weight281.42 g/mol
Exact Mass281.23
IUPAC Namesodium;dodecane;2-(methylamino)acetic acid
SMILESCNCC(=O)O.[CH2-]CCCCCCCCCCC.[Na+]
InChIInChI=1S/C12H25.C3H7NO2.Na/c1-3-5-7-9-11-12-10-8-6-4-2;1-4-2-3(5)6;/h1,3-12H2,2H3;4H,2H2,1H3,(H,5,6);/q-1;;+1
InChIKeyHSLZNXCFAAQLRG-UHFFFAOYSA-N
XLogP1.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;dodecane;2-(methylamino)acetic acid?
The IUPAC name of sodium;dodecane;2-(methylamino)acetic acid (CID 174330341) is sodium;dodecane;2-(methylamino)acetic acid.
What is the SMILES notation for sodium;dodecane;2-(methylamino)acetic acid?
The canonical SMILES for sodium;dodecane;2-(methylamino)acetic acid is CNCC(=O)O.[CH2-]CCCCCCCCCCC.[Na+].
What is the InChIKey of sodium;dodecane;2-(methylamino)acetic acid?
The InChIKey is HSLZNXCFAAQLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25.C3H7NO2.Na/c1-3-5-7-9-11-12-10-8-6-4-2;1-4-2-3(5)6;/h1,3-12H2,2H3;4H,2H2,1H3,(H,5,6);/q-1;;+1.
What are the key properties of sodium;dodecane;2-(methylamino)acetic acid?
sodium;dodecane;2-(methylamino)acetic acid has a molecular weight of 281.42 g/mol, XLogP of 1.04, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecane;2-(methylamino)acetic acid is sourced from PubChem (CID 174330341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).