5-(hexylamino)-4-oxopentanoic acid

C11H21NO3 — CID 44583115

IUPAC5-(hexylamino)-4-oxopentanoic acid
SMILESCCCCCCNCC(=O)CCC(=O)O
InChIInChI=1S/C11H21NO3/c1-2-3-4-5-8-12-9-10(13)6-7-11(14)15/h12H,2-9H2,1H3,(H,14,15)
InChIKeyFRSRRMYKORSLPV-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.59
Rot. Bonds10

About 5-(hexylamino)-4-oxopentanoic acid

5-(hexylamino)-4-oxopentanoic acid (PubChem CID 44583115) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 5-(hexylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name5-(hexylamino)-4-oxopentanoic acid
PubChem CID44583115
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name5-(hexylamino)-4-oxopentanoic acid
SMILESCCCCCCNCC(=O)CCC(=O)O
InChIInChI=1S/C11H21NO3/c1-2-3-4-5-8-12-9-10(13)6-7-11(14)15/h12H,2-9H2,1H3,(H,14,15)
InChIKeyFRSRRMYKORSLPV-UHFFFAOYSA-N
XLogP1.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(hexylamino)-4-oxopentanoic acid?
The IUPAC name of 5-(hexylamino)-4-oxopentanoic acid (CID 44583115) is 5-(hexylamino)-4-oxopentanoic acid.
What is the SMILES notation for 5-(hexylamino)-4-oxopentanoic acid?
The canonical SMILES for 5-(hexylamino)-4-oxopentanoic acid is CCCCCCNCC(=O)CCC(=O)O.
What is the InChIKey of 5-(hexylamino)-4-oxopentanoic acid?
The InChIKey is FRSRRMYKORSLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-3-4-5-8-12-9-10(13)6-7-11(14)15/h12H,2-9H2,1H3,(H,14,15).
What are the key properties of 5-(hexylamino)-4-oxopentanoic acid?
5-(hexylamino)-4-oxopentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.59, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hexylamino)-4-oxopentanoic acid is sourced from PubChem (CID 44583115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).