3-[decanoyl(2-hydroxyethyl)amino]propanoic acid

C15H29NO4 — CID 132595707

IUPAC3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
SMILESCCCCCCCCCC(=O)N(CCO)CCC(=O)O
InChIInChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-14(18)16(12-13-17)11-10-15(19)20/h17H,2-13H2,1H3,(H,19,20)
InChIKeyGEWLVEJGADFIKC-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.42
Rot. Bonds13

About 3-[decanoyl(2-hydroxyethyl)amino]propanoic acid

3-[decanoyl(2-hydroxyethyl)amino]propanoic acid (PubChem CID 132595707) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-[decanoyl(2-hydroxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
PubChem CID132595707
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
SMILESCCCCCCCCCC(=O)N(CCO)CCC(=O)O
InChIInChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-14(18)16(12-13-17)11-10-15(19)20/h17H,2-13H2,1H3,(H,19,20)
InChIKeyGEWLVEJGADFIKC-UHFFFAOYSA-N
XLogP2.42
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;3-[dodecanoyl(2-hydroxyethyl)amino]propanoic acid;hydride
CID 174049778
5-[hexadecyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 4249271
5-[dodecyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 3327621
3-[2-carboxyethyl-[2-[2-carboxyethyl(decanoyl)amino]ethyl]amino]propanoic acid
CID 19347829
N,N-bis(2-hydroxyethyl)dodecanamide;2-(2-hydroxyethylamino)ethanol
CID 56843583
N,N-bis(3-hydroxypropyl)icosanamide
CID 102118836
3-[decanoyl(2-oxoundecyl)amino]propanoic acid
CID 139936744
N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide
CID 135358896
3-[hexyl(2-hydroxyethyl)amino]-3-oxopropanoic acid
CID 62230259
N-[2-[hexadecanoyl(3-hydroxypropyl)amino]ethyl]-N-(3-hydroxypropyl)hexadecanamide
CID 18787706
3-[6-[2-carboxyethyl(tridecanoyl)amino]hexylamino]propanoic acid
CID 21328693
N,N-di(nonyl)octanamide
CID 533141

Frequently Asked Questions

What is the IUPAC name of 3-[decanoyl(2-hydroxyethyl)amino]propanoic acid?
The IUPAC name of 3-[decanoyl(2-hydroxyethyl)amino]propanoic acid (CID 132595707) is 3-[decanoyl(2-hydroxyethyl)amino]propanoic acid.
What is the SMILES notation for 3-[decanoyl(2-hydroxyethyl)amino]propanoic acid?
The canonical SMILES for 3-[decanoyl(2-hydroxyethyl)amino]propanoic acid is CCCCCCCCCC(=O)N(CCO)CCC(=O)O.
What is the InChIKey of 3-[decanoyl(2-hydroxyethyl)amino]propanoic acid?
The InChIKey is GEWLVEJGADFIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-14(18)16(12-13-17)11-10-15(19)20/h17H,2-13H2,1H3,(H,19,20).
What are the key properties of 3-[decanoyl(2-hydroxyethyl)amino]propanoic acid?
3-[decanoyl(2-hydroxyethyl)amino]propanoic acid has a molecular weight of 287.40 g/mol, XLogP of 2.42, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[decanoyl(2-hydroxyethyl)amino]propanoic acid is sourced from PubChem (CID 132595707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).