2-[(2-cyclopentylacetyl)amino]hexanoic acid

C13H23NO3 — CID 60657212

IUPAC2-[(2-cyclopentylacetyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)CC1CCCC1)C(=O)O
InChIInChI=1S/C13H23NO3/c1-2-3-8-11(13(16)17)14-12(15)9-10-6-4-5-7-10/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyQRVHRDISMPNOQJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.33
Rot. Bonds7

About 2-[(2-cyclopentylacetyl)amino]hexanoic acid

2-[(2-cyclopentylacetyl)amino]hexanoic acid (PubChem CID 60657212) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[(2-cyclopentylacetyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopentylacetyl)amino]hexanoic acid
PubChem CID60657212
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[(2-cyclopentylacetyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)CC1CCCC1)C(=O)O
InChIInChI=1S/C13H23NO3/c1-2-3-8-11(13(16)17)14-12(15)9-10-6-4-5-7-10/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyQRVHRDISMPNOQJ-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclopropylacetyl)amino]hexanoic acid
CID 43469695
2-[(2-cyclopropylacetyl)amino]pentanoic acid
CID 43630437
2-(4-cyclohexylbutanoylamino)hexanoic acid
CID 43387726
2-[(2-cycloheptylacetyl)amino]butanoic acid
CID 115909894
(2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid
CID 120615360
(2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid
CID 107146892
2-[(2-cyclohexylacetyl)amino]-4-methylsulfonylbutanoic acid
CID 43107936
(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid
CID 104928841
(2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 107822267
2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 103161841
2-[(2-cyclohexylacetyl)amino]-4-methylsulfanylbutanoic acid
CID 43183375
(2S)-2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]hexanoic acid
CID 120615595

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylacetyl)amino]hexanoic acid?
The IUPAC name of 2-[(2-cyclopentylacetyl)amino]hexanoic acid (CID 60657212) is 2-[(2-cyclopentylacetyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(2-cyclopentylacetyl)amino]hexanoic acid?
The canonical SMILES for 2-[(2-cyclopentylacetyl)amino]hexanoic acid is CCCCC(NC(=O)CC1CCCC1)C(=O)O.
What is the InChIKey of 2-[(2-cyclopentylacetyl)amino]hexanoic acid?
The InChIKey is QRVHRDISMPNOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-3-8-11(13(16)17)14-12(15)9-10-6-4-5-7-10/h10-11H,2-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-cyclopentylacetyl)amino]hexanoic acid?
2-[(2-cyclopentylacetyl)amino]hexanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylacetyl)amino]hexanoic acid is sourced from PubChem (CID 60657212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).