5-(6-acetamidohexanoylamino)-4-methylpentanoic acid

C14H26N2O4 — CID 82682930

IUPAC5-(6-acetamidohexanoylamino)-4-methylpentanoic acid
SMILESCC(=O)NCCCCCC(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C14H26N2O4/c1-11(7-8-14(19)20)10-16-13(18)6-4-3-5-9-15-12(2)17/h11H,3-10H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyLOBZDTOIOFYIPF-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.30
Rot. Bonds11

About 5-(6-acetamidohexanoylamino)-4-methylpentanoic acid

5-(6-acetamidohexanoylamino)-4-methylpentanoic acid (PubChem CID 82682930) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-(6-acetamidohexanoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name5-(6-acetamidohexanoylamino)-4-methylpentanoic acid
PubChem CID82682930
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name5-(6-acetamidohexanoylamino)-4-methylpentanoic acid
SMILESCC(=O)NCCCCCC(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C14H26N2O4/c1-11(7-8-14(19)20)10-16-13(18)6-4-3-5-9-15-12(2)17/h11H,3-10H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyLOBZDTOIOFYIPF-UHFFFAOYSA-N
XLogP1.30
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.30
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-[6-(6-acetamidohexanoylamino)hexanoylamino]hexanoic acid
CID 59079185
2-(6-acetamidohexanoylamino)pentanedioic acid
CID 60830462
6-acetamido-N-(4-hydroxypentyl)hexanamide
CID 107300079
6-acetamidohexanoic acid;methane
CID 163527023
(2S)-2-[[(1S)-5-(6-acetamidohexanoylamino)-1-carboxypentyl]carbamoylamino]pentanedioic acid
CID 126497411
4-(3-acetamidopropanoylamino)-3-methylbutanoic acid
CID 81063631
5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid
CID 82689538
5-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-methylpentanoic acid
CID 82010370
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
6-acetamido-N-propylhexanamide
CID 60654879
6-[(2-methyl-3-methylsulfanylpropyl)amino]-6-oxohexanoic acid
CID 63980810

Frequently Asked Questions

What is the IUPAC name of 5-(6-acetamidohexanoylamino)-4-methylpentanoic acid?
The IUPAC name of 5-(6-acetamidohexanoylamino)-4-methylpentanoic acid (CID 82682930) is 5-(6-acetamidohexanoylamino)-4-methylpentanoic acid.
What is the SMILES notation for 5-(6-acetamidohexanoylamino)-4-methylpentanoic acid?
The canonical SMILES for 5-(6-acetamidohexanoylamino)-4-methylpentanoic acid is CC(=O)NCCCCCC(=O)NCC(C)CCC(=O)O.
What is the InChIKey of 5-(6-acetamidohexanoylamino)-4-methylpentanoic acid?
The InChIKey is LOBZDTOIOFYIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-11(7-8-14(19)20)10-16-13(18)6-4-3-5-9-15-12(2)17/h11H,3-10H2,1-2H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 5-(6-acetamidohexanoylamino)-4-methylpentanoic acid?
5-(6-acetamidohexanoylamino)-4-methylpentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.30, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-acetamidohexanoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 82682930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).