sodium 3-[methyl(tetradecanoyl)amino]propanoic acid

C18H35NNaO3+ — CID 22614079

IUPACsodium 3-[methyl(tetradecanoyl)amino]propanoic acid
SMILESCCCCCCCCCCCCCC(=O)N(C)CCC(=O)O.[Na+]
InChIInChI=1S/C18H35NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(20)19(2)16-15-18(21)22;/h3-16H2,1-2H3,(H,21,22);/q;+1
InChIKeyISONEALTCIBOKV-UHFFFAOYSA-N
MW336.47 g/mol
LogP1.62
Rot. Bonds15

About sodium 3-[methyl(tetradecanoyl)amino]propanoic acid

sodium 3-[methyl(tetradecanoyl)amino]propanoic acid (PubChem CID 22614079) has the molecular formula C18H35NNaO3+ and a molecular weight of 336.47 g/mol. Its IUPAC name is sodium 3-[methyl(tetradecanoyl)amino]propanoic acid.

Molecular Properties

Compound Namesodium 3-[methyl(tetradecanoyl)amino]propanoic acid
PubChem CID22614079
Molecular FormulaC18H35NNaO3+
Molecular Weight336.47 g/mol
Exact Mass336.25
IUPAC Namesodium 3-[methyl(tetradecanoyl)amino]propanoic acid
SMILESCCCCCCCCCCCCCC(=O)N(C)CCC(=O)O.[Na+]
InChIInChI=1S/C18H35NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(20)19(2)16-15-18(21)22;/h3-16H2,1-2H3,(H,21,22);/q;+1
InChIKeyISONEALTCIBOKV-UHFFFAOYSA-N
XLogP1.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 51.62
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

CID 88685642
CID 88685642
4-[heptanoyl(methyl)amino]butanoic acid
CID 43172442
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
methyl 3-[decanoyl(methyl)amino]propanoate
CID 54979768
3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119232796
2-[methyl(nonadecanoyl)amino]acetic acid
CID 13318293
potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride
CID 174463731
N-methyl-N-[2-(methylamino)ethyl]decanamide
CID 65449488
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774

Frequently Asked Questions

What is the IUPAC name of sodium 3-[methyl(tetradecanoyl)amino]propanoic acid?
The IUPAC name of sodium 3-[methyl(tetradecanoyl)amino]propanoic acid (CID 22614079) is sodium 3-[methyl(tetradecanoyl)amino]propanoic acid.
What is the SMILES notation for sodium 3-[methyl(tetradecanoyl)amino]propanoic acid?
The canonical SMILES for sodium 3-[methyl(tetradecanoyl)amino]propanoic acid is CCCCCCCCCCCCCC(=O)N(C)CCC(=O)O.[Na+].
What is the InChIKey of sodium 3-[methyl(tetradecanoyl)amino]propanoic acid?
The InChIKey is ISONEALTCIBOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(20)19(2)16-15-18(21)22;/h3-16H2,1-2H3,(H,21,22);/q;+1.
What are the key properties of sodium 3-[methyl(tetradecanoyl)amino]propanoic acid?
sodium 3-[methyl(tetradecanoyl)amino]propanoic acid has a molecular weight of 336.47 g/mol, XLogP of 1.62, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-[methyl(tetradecanoyl)amino]propanoic acid is sourced from PubChem (CID 22614079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).