6-[[2-(cyclopenten-1-yl)acetyl]amino]hexanoic acid

C13H21NO3 — CID 54368577

IUPAC6-[[2-(cyclopenten-1-yl)acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CC1=CCCC1
InChIInChI=1S/C13H21NO3/c15-12(10-11-6-3-4-7-11)14-9-5-1-2-8-13(16)17/h6H,1-5,7-10H2,(H,14,15)(H,16,17)
InChIKeyURNOTAJJVJLUTE-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.25
Rot. Bonds8

About 6-[[2-(cyclopenten-1-yl)acetyl]amino]hexanoic acid

6-[[2-(cyclopenten-1-yl)acetyl]amino]hexanoic acid (PubChem CID 54368577) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 6-[[2-(cyclopenten-1-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-(cyclopenten-1-yl)acetyl]amino]hexanoic acid
PubChem CID54368577
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name6-[[2-(cyclopenten-1-yl)acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CC1=CCCC1
InChIInChI=1S/C13H21NO3/c15-12(10-11-6-3-4-7-11)14-9-5-1-2-8-13(16)17/h6H,1-5,7-10H2,(H,14,15)(H,16,17)
InChIKeyURNOTAJJVJLUTE-UHFFFAOYSA-N
XLogP2.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(cyclopenten-1-yl)acetyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-(cyclopenten-1-yl)acetyl]amino]hexanoic acid (CID 54368577) is 6-[[2-(cyclopenten-1-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-(cyclopenten-1-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-(cyclopenten-1-yl)acetyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)CC1=CCCC1.
What is the InChIKey of 6-[[2-(cyclopenten-1-yl)acetyl]amino]hexanoic acid?
The InChIKey is URNOTAJJVJLUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(10-11-6-3-4-7-11)14-9-5-1-2-8-13(16)17/h6H,1-5,7-10H2,(H,14,15)(H,16,17).
What are the key properties of 6-[[2-(cyclopenten-1-yl)acetyl]amino]hexanoic acid?
6-[[2-(cyclopenten-1-yl)acetyl]amino]hexanoic acid has a molecular weight of 239.31 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(cyclopenten-1-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 54368577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).