6-[(2-cyclopentyl-2-methylpropanoyl)amino]hexanoic acid

C15H27NO3 — CID 120522460

IUPAC6-[(2-cyclopentyl-2-methylpropanoyl)amino]hexanoic acid
SMILESCC(C)(C(=O)NCCCCCC(=O)O)C1CCCC1
InChIInChI=1S/C15H27NO3/c1-15(2,12-8-5-6-9-12)14(19)16-11-7-3-4-10-13(17)18/h12H,3-11H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHKSIOAGBDHHASR-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.96
Rot. Bonds8

About 6-[(2-cyclopentyl-2-methylpropanoyl)amino]hexanoic acid

6-[(2-cyclopentyl-2-methylpropanoyl)amino]hexanoic acid (PubChem CID 120522460) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 6-[(2-cyclopentyl-2-methylpropanoyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-cyclopentyl-2-methylpropanoyl)amino]hexanoic acid
PubChem CID120522460
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name6-[(2-cyclopentyl-2-methylpropanoyl)amino]hexanoic acid
SMILESCC(C)(C(=O)NCCCCCC(=O)O)C1CCCC1
InChIInChI=1S/C15H27NO3/c1-15(2,12-8-5-6-9-12)14(19)16-11-7-3-4-10-13(17)18/h12H,3-11H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHKSIOAGBDHHASR-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(3-cyclopentylpropanoylamino)hexanoic acid
CID 16784943
7-(3-cyclopentylpropanoylamino)heptanoic acid
CID 24697400
6-(4-cyclopentylbutanoylamino)hexanoic acid
CID 119220158
N-(5-cyclobutyl-5-oxopentyl)-2,2-dimethylpropanamide
CID 15883436
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
7-(cyclohexylmethylcarbamoylamino)heptanoic acid
CID 61197262
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
5-(3-cyclopentylpropylamino)pentanoic acid
CID 106004168
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid
CID 61201091
4-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid
CID 62846365
6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid
CID 79873494

Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclopentyl-2-methylpropanoyl)amino]hexanoic acid?
The IUPAC name of 6-[(2-cyclopentyl-2-methylpropanoyl)amino]hexanoic acid (CID 120522460) is 6-[(2-cyclopentyl-2-methylpropanoyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2-cyclopentyl-2-methylpropanoyl)amino]hexanoic acid?
The canonical SMILES for 6-[(2-cyclopentyl-2-methylpropanoyl)amino]hexanoic acid is CC(C)(C(=O)NCCCCCC(=O)O)C1CCCC1.
What is the InChIKey of 6-[(2-cyclopentyl-2-methylpropanoyl)amino]hexanoic acid?
The InChIKey is HKSIOAGBDHHASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-15(2,12-8-5-6-9-12)14(19)16-11-7-3-4-10-13(17)18/h12H,3-11H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 6-[(2-cyclopentyl-2-methylpropanoyl)amino]hexanoic acid?
6-[(2-cyclopentyl-2-methylpropanoyl)amino]hexanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyclopentyl-2-methylpropanoyl)amino]hexanoic acid is sourced from PubChem (CID 120522460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).