potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride

C15H31KNNaO3 — CID 174463731

IUPACpotassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride
SMILESCCCCCCCCCCCC(=O)N(C)CC(=O)O.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C15H29NO3.K.Na.2H/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;;;;/h3-13H2,1-2H3,(H,18,19);;;;/q;2*+1;2*-1
InChIKeyPMUJMBVKKOPKKU-UHFFFAOYSA-N
MW335.50 g/mol
LogP-2.32
Rot. Bonds12

About potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride

potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride (PubChem CID 174463731) has the molecular formula C15H31KNNaO3 and a molecular weight of 335.50 g/mol. Its IUPAC name is potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride.

Molecular Properties

Compound Namepotassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride
PubChem CID174463731
Molecular FormulaC15H31KNNaO3
Molecular Weight335.50 g/mol
Exact Mass335.18
IUPAC Namepotassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride
SMILESCCCCCCCCCCCC(=O)N(C)CC(=O)O.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C15H29NO3.K.Na.2H/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;;;;/h3-13H2,1-2H3,(H,18,19);;;;/q;2*+1;2*-1
InChIKeyPMUJMBVKKOPKKU-UHFFFAOYSA-N
XLogP-2.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 5-2.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(nonadecanoyl)amino]acetic acid
CID 13318293
2-[[(Z)-docos-13-enoyl]-methylamino]acetic acid
CID 109374190
2-[methyl(octadec-11-enoyl)amino]acetic acid
CID 175197754
2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid
CID 175329746
2-[[(E)-hexadec-8-enoyl]-methylamino]acetic acid
CID 20606581
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid;zinc
CID 158929177
1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid
CID 170168150
sodium 3-[methyl(tetradecanoyl)amino]propanoic acid
CID 22614079
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid;octadecan-1-amine
CID 174638306
2-[6-fluorohexanoyl(methyl)amino]acetic acid
CID 101279688
2-(methylamino)acetic acid;2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid
CID 88510322
2-[carboxymethyl(octadecanoyl)amino]acetic acid
CID 13060866

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride?
The IUPAC name of potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride (CID 174463731) is potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride.
What is the SMILES notation for potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride?
The canonical SMILES for potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride is CCCCCCCCCCCC(=O)N(C)CC(=O)O.[H-].[H-].[K+].[Na+].
What is the InChIKey of potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride?
The InChIKey is PMUJMBVKKOPKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3.K.Na.2H/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;;;;/h3-13H2,1-2H3,(H,18,19);;;;/q;2*+1;2*-1.
What are the key properties of potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride?
potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride has a molecular weight of 335.50 g/mol, XLogP of -2.32, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride is sourced from PubChem (CID 174463731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).