5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid

C13H21NO3 — CID 2932918

IUPAC5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H21NO3/c15-12(7-4-8-13(16)17)14-10-9-11-5-2-1-3-6-11/h5H,1-4,6-10H2,(H,14,15)(H,16,17)
InChIKeyQOBXQFJYTSEXEM-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.25
Rot. Bonds7

About 5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid

5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid (PubChem CID 2932918) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
PubChem CID2932918
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H21NO3/c15-12(7-4-8-13(16)17)14-10-9-11-5-2-1-3-6-11/h5H,1-4,6-10H2,(H,14,15)(H,16,17)
InChIKeyQOBXQFJYTSEXEM-UHFFFAOYSA-N
XLogP2.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid
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N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
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3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide
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N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide
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6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid
CID 63565537
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CID 100588830

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid (CID 2932918) is 5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NCCC1=CCCCC1.
What is the InChIKey of 5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid?
The InChIKey is QOBXQFJYTSEXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(7-4-8-13(16)17)14-10-9-11-5-2-1-3-6-11/h5H,1-4,6-10H2,(H,14,15)(H,16,17).
What are the key properties of 5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid?
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid has a molecular weight of 239.31 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 2932918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).