8-[ethyl(methyl)amino]-8-oxooctanoic acid

C11H21NO3 — CID 175615328

IUPAC8-[ethyl(methyl)amino]-8-oxooctanoic acid
SMILESCCN(C)C(=O)CCCCCCC(=O)O
InChIInChI=1S/C11H21NO3/c1-3-12(2)10(13)8-6-4-5-7-9-11(14)15/h3-9H2,1-2H3,(H,14,15)
InChIKeyLLVDGKVRMKPXLA-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.89
Rot. Bonds8

About 8-[ethyl(methyl)amino]-8-oxooctanoic acid

8-[ethyl(methyl)amino]-8-oxooctanoic acid (PubChem CID 175615328) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 8-[ethyl(methyl)amino]-8-oxooctanoic acid.

Molecular Properties

Compound Name8-[ethyl(methyl)amino]-8-oxooctanoic acid
PubChem CID175615328
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name8-[ethyl(methyl)amino]-8-oxooctanoic acid
SMILESCCN(C)C(=O)CCCCCCC(=O)O
InChIInChI=1S/C11H21NO3/c1-3-12(2)10(13)8-6-4-5-7-9-11(14)15/h3-9H2,1-2H3,(H,14,15)
InChIKeyLLVDGKVRMKPXLA-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

12-(diethylamino)-12-oxododecanoic acid
CID 19794003
4-[heptanoyl(methyl)amino]butanoic acid
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10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid
CID 63694639
3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119232796
CID 88685642
CID 88685642
sodium 3-[methyl(tetradecanoyl)amino]propanoic acid
CID 22614079
2-[methyl(nonadecanoyl)amino]acetic acid
CID 13318293
4-[methyl(undec-10-enoyl)amino]butanoic acid
CID 10016696
4-[6-aminohexanoyl(methyl)amino]butanoic acid
CID 61160590
N,N-dimethylmethanamine;octanoic acid
CID 173098896

Frequently Asked Questions

What is the IUPAC name of 8-[ethyl(methyl)amino]-8-oxooctanoic acid?
The IUPAC name of 8-[ethyl(methyl)amino]-8-oxooctanoic acid (CID 175615328) is 8-[ethyl(methyl)amino]-8-oxooctanoic acid.
What is the SMILES notation for 8-[ethyl(methyl)amino]-8-oxooctanoic acid?
The canonical SMILES for 8-[ethyl(methyl)amino]-8-oxooctanoic acid is CCN(C)C(=O)CCCCCCC(=O)O.
What is the InChIKey of 8-[ethyl(methyl)amino]-8-oxooctanoic acid?
The InChIKey is LLVDGKVRMKPXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-12(2)10(13)8-6-4-5-7-9-11(14)15/h3-9H2,1-2H3,(H,14,15).
What are the key properties of 8-[ethyl(methyl)amino]-8-oxooctanoic acid?
8-[ethyl(methyl)amino]-8-oxooctanoic 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 8-[ethyl(methyl)amino]-8-oxooctanoic acid is sourced from PubChem (CID 175615328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).