6-[butyl(methyl)amino]-6-oxohexanoic acid

C11H21NO3 — CID 43447178

IUPAC6-[butyl(methyl)amino]-6-oxohexanoic acid
SMILESCCCCN(C)C(=O)CCCCC(=O)O
InChIInChI=1S/C11H21NO3/c1-3-4-9-12(2)10(13)7-5-6-8-11(14)15/h3-9H2,1-2H3,(H,14,15)
InChIKeyXRNJSCZIJYLQKX-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.89
Rot. Bonds8

About 6-[butyl(methyl)amino]-6-oxohexanoic acid

6-[butyl(methyl)amino]-6-oxohexanoic acid (PubChem CID 43447178) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-6-oxohexanoic acid
PubChem CID43447178
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name6-[butyl(methyl)amino]-6-oxohexanoic acid
SMILESCCCCN(C)C(=O)CCCCC(=O)O
InChIInChI=1S/C11H21NO3/c1-3-4-9-12(2)10(13)7-5-6-8-11(14)15/h3-9H2,1-2H3,(H,14,15)
InChIKeyXRNJSCZIJYLQKX-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.89
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

4-[heptanoyl(methyl)amino]butanoic acid
CID 43172442
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
CID 88685642
CID 88685642
sodium 3-[methyl(tetradecanoyl)amino]propanoic acid
CID 22614079
N-methyl-N-octylnonanamide
CID 140654825
N-methyl-N-octylheptacosanamide
CID 87394998
6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid
CID 63694639
4-[6-aminohexanoyl(methyl)amino]butanoic acid
CID 61160590
8-[ethyl(methyl)amino]-8-oxooctanoic acid
CID 175615328
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[butyl(methyl)amino]-6-oxohexanoic acid (CID 43447178) is 6-[butyl(methyl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[butyl(methyl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[butyl(methyl)amino]-6-oxohexanoic acid is CCCCN(C)C(=O)CCCCC(=O)O.
What is the InChIKey of 6-[butyl(methyl)amino]-6-oxohexanoic acid?
The InChIKey is XRNJSCZIJYLQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-4-9-12(2)10(13)7-5-6-8-11(14)15/h3-9H2,1-2H3,(H,14,15).
What are the key properties of 6-[butyl(methyl)amino]-6-oxohexanoic acid?
6-[butyl(methyl)amino]-6-oxohexanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 43447178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).