disodium;2-[dodecanoyl(methyl)amino]acetate;fluoro(hydroxy)phosphinate

C15H29FNNa2O6P — CID 172550095

IUPACdisodium;2-[dodecanoyl(methyl)amino]acetate;fluoro(hydroxy)phosphinate
SMILESCCCCCCCCCCCC(=O)N(C)CC(=O)[O-].O=P([O-])(O)F.[Na+].[Na+]
InChIInChI=1S/C15H29NO3.FH2O3P.2Na/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;1-5(2,3)4;;/h3-13H2,1-2H3,(H,18,19);(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyFJECRZKPGRFMMV-UHFFFAOYSA-L
MW415.35 g/mol
LogP-4.46
Rot. Bonds12

About disodium;2-[dodecanoyl(methyl)amino]acetate;fluoro(hydroxy)phosphinate

disodium;2-[dodecanoyl(methyl)amino]acetate;fluoro(hydroxy)phosphinate (PubChem CID 172550095) has the molecular formula C15H29FNNa2O6P and a molecular weight of 415.35 g/mol. Its IUPAC name is disodium;2-[dodecanoyl(methyl)amino]acetate;fluoro(hydroxy)phosphinate.

Molecular Properties

Compound Namedisodium;2-[dodecanoyl(methyl)amino]acetate;fluoro(hydroxy)phosphinate
PubChem CID172550095
Molecular FormulaC15H29FNNa2O6P
Molecular Weight415.35 g/mol
Exact Mass415.15
IUPAC Namedisodium;2-[dodecanoyl(methyl)amino]acetate;fluoro(hydroxy)phosphinate
SMILESCCCCCCCCCCCC(=O)N(C)CC(=O)[O-].O=P([O-])(O)F.[Na+].[Na+]
InChIInChI=1S/C15H29NO3.FH2O3P.2Na/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;1-5(2,3)4;;/h3-13H2,1-2H3,(H,18,19);(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyFJECRZKPGRFMMV-UHFFFAOYSA-L
XLogP-4.46
TPSA120.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 5-4.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze disodium;2-[dodecanoyl(methyl)amino]acetate;fluoro(hydroxy)phosphinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

calcium bis(2-[methyl(tetradecanoyl)amino]acetate)
CID 168911681
chromium(3+);tris(2-[methyl-[(Z)-octadec-9-enoyl]amino]acetate)
CID 173332021
tetraaluminum;tris(nonanoate);triphosphate
CID 173332863
2-[methyl(nonadecanoyl)amino]acetic acid
CID 13318293
sodium 2-[methyl(16-methylheptadecanoyl)amino]acetate
CID 166060190
tricalcium;magnesium;bis(octadecanoate);diphosphate
CID 173089489
potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride
CID 174463731
sodium heptadecanoate
CID 23663632
sodium hentriacontanoate
CID 139987799
sodium pentadecanoate
CID 23663638
aluminum;N,N-dimethylmethanamine;tris(octadecanoate)
CID 174732556
sodium;azane;dodecanoate
CID 23690680

Frequently Asked Questions

What is the IUPAC name of disodium;2-[dodecanoyl(methyl)amino]acetate;fluoro(hydroxy)phosphinate?
The IUPAC name of disodium;2-[dodecanoyl(methyl)amino]acetate;fluoro(hydroxy)phosphinate (CID 172550095) is disodium;2-[dodecanoyl(methyl)amino]acetate;fluoro(hydroxy)phosphinate.
What is the SMILES notation for disodium;2-[dodecanoyl(methyl)amino]acetate;fluoro(hydroxy)phosphinate?
The canonical SMILES for disodium;2-[dodecanoyl(methyl)amino]acetate;fluoro(hydroxy)phosphinate is CCCCCCCCCCCC(=O)N(C)CC(=O)[O-].O=P([O-])(O)F.[Na+].[Na+].
What is the InChIKey of disodium;2-[dodecanoyl(methyl)amino]acetate;fluoro(hydroxy)phosphinate?
The InChIKey is FJECRZKPGRFMMV-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H29NO3.FH2O3P.2Na/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;1-5(2,3)4;;/h3-13H2,1-2H3,(H,18,19);(H2,2,3,4);;/q;;2*+1/p-2.
What are the key properties of disodium;2-[dodecanoyl(methyl)amino]acetate;fluoro(hydroxy)phosphinate?
disodium;2-[dodecanoyl(methyl)amino]acetate;fluoro(hydroxy)phosphinate has a molecular weight of 415.35 g/mol, XLogP of -4.46, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-[dodecanoyl(methyl)amino]acetate;fluoro(hydroxy)phosphinate is sourced from PubChem (CID 172550095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).