1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid

C14H24N2O4 — CID 81361686

IUPAC1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid
SMILESCC(=O)NCCCCCC(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C14H24N2O4/c1-11(17)15-9-4-2-3-6-12(18)16-10-14(13(19)20)7-5-8-14/h2-10H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyQITBWWLBHRPQQK-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.05
Rot. Bonds9

About 1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid

1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 81361686) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID81361686
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid
SMILESCC(=O)NCCCCCC(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C14H24N2O4/c1-11(17)15-9-4-2-3-6-12(18)16-10-14(13(19)20)7-5-8-14/h2-10H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyQITBWWLBHRPQQK-UHFFFAOYSA-N
XLogP1.05
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.05
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

1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445879
1-[[4-(2,2-dimethylpropanoylamino)butanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 81369445
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512
1-[(4-methoxybutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362249
1-[(5-aminohexanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 82853421
6-[6-(6-acetamidohexanoylamino)hexanoylamino]hexanoic acid
CID 59079185
1-[(4-methylsulfanylbutanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 120544296
6-acetamido-N-[(1-hydroxy-4-methylcyclohexyl)methyl]hexanamide
CID 65120066
1-(4-acetamidobutyl)cyclopropane-1-carboxylic acid
CID 153371110
1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81361691
1-[(4-methylsulfonylbutanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 120543941
1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450774

Frequently Asked Questions

What is the IUPAC name of 1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid (CID 81361686) is 1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid is CC(=O)NCCCCCC(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is QITBWWLBHRPQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-11(17)15-9-4-2-3-6-12(18)16-10-14(13(19)20)7-5-8-14/h2-10H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.05, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-acetamidohexanoylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81361686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).