6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid

C13H26N2O4 — CID 65289318

IUPAC6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid
SMILESCOCCNC(=O)CNCCC(C)(C)CCC(=O)O
InChIInChI=1S/C13H26N2O4/c1-13(2,5-4-12(17)18)6-7-14-10-11(16)15-8-9-19-3/h14H,4-10H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyIMDSKWQPENACGK-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.62
Rot. Bonds11

About 6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid

6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid (PubChem CID 65289318) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid
PubChem CID65289318
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid
SMILESCOCCNC(=O)CNCCC(C)(C)CCC(=O)O
InChIInChI=1S/C13H26N2O4/c1-13(2,5-4-12(17)18)6-7-14-10-11(16)15-8-9-19-3/h14H,4-10H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyIMDSKWQPENACGK-UHFFFAOYSA-N
XLogP0.62
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid
CID 65287517
6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid
CID 79257053
tert-butyl 3-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoate
CID 103263911
6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid
CID 65287286
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382
N-(2-methoxyethyl)-2-[(2-methoxy-2-methylpropyl)amino]acetamide
CID 104760634
2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid
CID 43466021
2-(butylamino)-N-(2-methoxyethyl)acetamide
CID 54815346
6-[[3-(ethylamino)-3-oxopropyl]amino]-4,4-dimethylhexanoic acid
CID 65287716
6-[3-(ethylamino)propanoylamino]-4,4-dimethylhexanoic acid
CID 65286127
4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid
CID 65290131

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid (CID 65289318) is 6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid is COCCNC(=O)CNCCC(C)(C)CCC(=O)O.
What is the InChIKey of 6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid?
The InChIKey is IMDSKWQPENACGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-13(2,5-4-12(17)18)6-7-14-10-11(16)15-8-9-19-3/h14H,4-10H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid?
6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid has a molecular weight of 274.36 g/mol, XLogP of 0.62, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65289318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).