hexyl 5-amino-2-oxopentanoate

C11H21NO3 — CID 140983648

IUPAChexyl 5-amino-2-oxopentanoate
SMILESCCCCCCOC(=O)C(=O)CCCN
InChIInChI=1S/C11H21NO3/c1-2-3-4-5-9-15-11(14)10(13)7-6-8-12/h2-9,12H2,1H3
InChIKeyUVBFMXCJEPUSDR-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.42
Rot. Bonds9

About hexyl 5-amino-2-oxopentanoate

hexyl 5-amino-2-oxopentanoate (PubChem CID 140983648) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is hexyl 5-amino-2-oxopentanoate.

Molecular Properties

Compound Namehexyl 5-amino-2-oxopentanoate
PubChem CID140983648
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namehexyl 5-amino-2-oxopentanoate
SMILESCCCCCCOC(=O)C(=O)CCCN
InChIInChI=1S/C11H21NO3/c1-2-3-4-5-9-15-11(14)10(13)7-6-8-12/h2-9,12H2,1H3
InChIKeyUVBFMXCJEPUSDR-UHFFFAOYSA-N
XLogP1.42
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexyl 5-amino-2-oxopentanoate?
The IUPAC name of hexyl 5-amino-2-oxopentanoate (CID 140983648) is hexyl 5-amino-2-oxopentanoate.
What is the SMILES notation for hexyl 5-amino-2-oxopentanoate?
The canonical SMILES for hexyl 5-amino-2-oxopentanoate is CCCCCCOC(=O)C(=O)CCCN.
What is the InChIKey of hexyl 5-amino-2-oxopentanoate?
The InChIKey is UVBFMXCJEPUSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-3-4-5-9-15-11(14)10(13)7-6-8-12/h2-9,12H2,1H3.
What are the key properties of hexyl 5-amino-2-oxopentanoate?
hexyl 5-amino-2-oxopentanoate has a molecular weight of 215.29 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 5-amino-2-oxopentanoate is sourced from PubChem (CID 140983648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).