4-[decyl(methyl)amino]butanoic acid

C15H31NO2 — CID 62222760

IUPAC4-[decyl(methyl)amino]butanoic acid
SMILESCCCCCCCCCCN(C)CCCC(=O)O
InChIInChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-13-16(2)14-11-12-15(17)18/h3-14H2,1-2H3,(H,17,18)
InChIKeyZDFBEHUMOHDVJC-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.92
Rot. Bonds13

About 4-[decyl(methyl)amino]butanoic acid

4-[decyl(methyl)amino]butanoic acid (PubChem CID 62222760) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-[decyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[decyl(methyl)amino]butanoic acid
PubChem CID62222760
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name4-[decyl(methyl)amino]butanoic acid
SMILESCCCCCCCCCCN(C)CCCC(=O)O
InChIInChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-13-16(2)14-11-12-15(17)18/h3-14H2,1-2H3,(H,17,18)
InChIKeyZDFBEHUMOHDVJC-UHFFFAOYSA-N
XLogP3.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.92
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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Frequently Asked Questions

What is the IUPAC name of 4-[decyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[decyl(methyl)amino]butanoic acid (CID 62222760) is 4-[decyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[decyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[decyl(methyl)amino]butanoic acid is CCCCCCCCCCN(C)CCCC(=O)O.
What is the InChIKey of 4-[decyl(methyl)amino]butanoic acid?
The InChIKey is ZDFBEHUMOHDVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-13-16(2)14-11-12-15(17)18/h3-14H2,1-2H3,(H,17,18).
What are the key properties of 4-[decyl(methyl)amino]butanoic acid?
4-[decyl(methyl)amino]butanoic acid has a molecular weight of 257.42 g/mol, XLogP of 3.92, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[decyl(methyl)amino]butanoic acid is sourced from PubChem (CID 62222760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).