4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid

C15H30N2O3 — CID 65287517

IUPAC4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid
SMILESCC(C)CCNC(=O)CNCCC(C)(C)CCC(=O)O
InChIInChI=1S/C15H30N2O3/c1-12(2)6-9-17-13(18)11-16-10-8-15(3,4)7-5-14(19)20/h12,16H,5-11H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyRBGJHKAOCGUPMT-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.02
Rot. Bonds11

About 4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid

4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid (PubChem CID 65287517) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid
PubChem CID65287517
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid
SMILESCC(C)CCNC(=O)CNCCC(C)(C)CCC(=O)O
InChIInChI=1S/C15H30N2O3/c1-12(2)6-9-17-13(18)11-16-10-8-15(3,4)7-5-14(19)20/h12,16H,5-11H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyRBGJHKAOCGUPMT-UHFFFAOYSA-N
XLogP2.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid
CID 65289318
6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid
CID 79257053
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
CID 106146856
2-(2,2-dimethylpropylamino)-N-(3-methylbutyl)acetamide
CID 61486851
4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid
CID 65290131
2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
CID 114125368
4,4-dimethyl-N-(3-methylbutyl)hexanamide
CID 162526519
4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid
CID 65284261
6-(2,4-dimethylpentylamino)-4,4-dimethylhexanoic acid
CID 114200371
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid
CID 65287286
6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid (CID 65287517) is 4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid is CC(C)CCNC(=O)CNCCC(C)(C)CCC(=O)O.
What is the InChIKey of 4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid?
The InChIKey is RBGJHKAOCGUPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-12(2)6-9-17-13(18)11-16-10-8-15(3,4)7-5-14(19)20/h12,16H,5-11H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid?
4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.02, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid is sourced from PubChem (CID 65287517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).