3-[11-(methylamino)undecoxy]propanoic acid

C15H31NO3 — CID 118279821

IUPAC3-[11-(methylamino)undecoxy]propanoic acid
SMILESCNCCCCCCCCCCCOCCC(=O)O
InChIInChI=1S/C15H31NO3/c1-16-12-9-7-5-3-2-4-6-8-10-13-19-14-11-15(17)18/h16H,2-14H2,1H3,(H,17,18)
InChIKeyHYXNFFGRPDRGDV-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.21
Rot. Bonds15

About 3-[11-(methylamino)undecoxy]propanoic acid

3-[11-(methylamino)undecoxy]propanoic acid (PubChem CID 118279821) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-[11-(methylamino)undecoxy]propanoic acid.

Molecular Properties

Compound Name3-[11-(methylamino)undecoxy]propanoic acid
PubChem CID118279821
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name3-[11-(methylamino)undecoxy]propanoic acid
SMILESCNCCCCCCCCCCCOCCC(=O)O
InChIInChI=1S/C15H31NO3/c1-16-12-9-7-5-3-2-4-6-8-10-13-19-14-11-15(17)18/h16H,2-14H2,1H3,(H,17,18)
InChIKeyHYXNFFGRPDRGDV-UHFFFAOYSA-N
XLogP3.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.21
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

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 170424406
6-(methylamino)hexanoic acid
CID 4989372
3-(8-methylnonoxy)propanoic acid
CID 21270829
5-(methylamino)pentanoic acid
CID 91583432
3-(2-heptoxyethoxy)propanoic acid
CID 71368458
ethane;5-(methylamino)pentanoic acid
CID 178043439
2-methyl-N-[5-[5-(methylamino)pentoxy]pentyl]propanamide
CID 156794993
6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine
CID 103406579
4-(6-hexoxyhexoxy)-N-methylbutan-1-amine
CID 164959438
hexanoic acid;N-methyltridecan-1-amine
CID 173175224
1-[4-(methylamino)butoxy]propan-2-one
CID 155218362
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538

Frequently Asked Questions

What is the IUPAC name of 3-[11-(methylamino)undecoxy]propanoic acid?
The IUPAC name of 3-[11-(methylamino)undecoxy]propanoic acid (CID 118279821) is 3-[11-(methylamino)undecoxy]propanoic acid.
What is the SMILES notation for 3-[11-(methylamino)undecoxy]propanoic acid?
The canonical SMILES for 3-[11-(methylamino)undecoxy]propanoic acid is CNCCCCCCCCCCCOCCC(=O)O.
What is the InChIKey of 3-[11-(methylamino)undecoxy]propanoic acid?
The InChIKey is HYXNFFGRPDRGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-16-12-9-7-5-3-2-4-6-8-10-13-19-14-11-15(17)18/h16H,2-14H2,1H3,(H,17,18).
What are the key properties of 3-[11-(methylamino)undecoxy]propanoic acid?
3-[11-(methylamino)undecoxy]propanoic acid has a molecular weight of 273.42 g/mol, XLogP of 3.21, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[11-(methylamino)undecoxy]propanoic acid is sourced from PubChem (CID 118279821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).