hexyl 5-amino-4-oxopentanoate;hydron;chloride

C11H22ClNO3 — CID 74765297

IUPAChexyl 5-amino-4-oxopentanoate;hydron;chloride
SMILESCCCCCCOC(=O)CCC(=O)CN.[Cl-].[H+]
InChIInChI=1S/C11H21NO3.ClH/c1-2-3-4-5-8-15-11(14)7-6-10(13)9-12;/h2-9,12H2,1H3;1H
InChIKeyLZYXPFZBAZTOCH-UHFFFAOYSA-N
MW251.75 g/mol
LogP-1.47
Rot. Bonds9

About hexyl 5-amino-4-oxopentanoate;hydron;chloride

hexyl 5-amino-4-oxopentanoate;hydron;chloride (PubChem CID 74765297) has the molecular formula C11H22ClNO3 and a molecular weight of 251.75 g/mol. Its IUPAC name is hexyl 5-amino-4-oxopentanoate;hydron;chloride.

Molecular Properties

Compound Namehexyl 5-amino-4-oxopentanoate;hydron;chloride
PubChem CID74765297
Molecular FormulaC11H22ClNO3
Molecular Weight251.75 g/mol
Exact Mass251.13
IUPAC Namehexyl 5-amino-4-oxopentanoate;hydron;chloride
SMILESCCCCCCOC(=O)CCC(=O)CN.[Cl-].[H+]
InChIInChI=1S/C11H21NO3.ClH/c1-2-3-4-5-8-15-11(14)7-6-10(13)9-12;/h2-9,12H2,1H3;1H
InChIKeyLZYXPFZBAZTOCH-UHFFFAOYSA-N
XLogP-1.47
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.75
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 hexyl 5-amino-4-oxopentanoate;hydron;chloride?
The IUPAC name of hexyl 5-amino-4-oxopentanoate;hydron;chloride (CID 74765297) is hexyl 5-amino-4-oxopentanoate;hydron;chloride.
What is the SMILES notation for hexyl 5-amino-4-oxopentanoate;hydron;chloride?
The canonical SMILES for hexyl 5-amino-4-oxopentanoate;hydron;chloride is CCCCCCOC(=O)CCC(=O)CN.[Cl-].[H+].
What is the InChIKey of hexyl 5-amino-4-oxopentanoate;hydron;chloride?
The InChIKey is LZYXPFZBAZTOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3.ClH/c1-2-3-4-5-8-15-11(14)7-6-10(13)9-12;/h2-9,12H2,1H3;1H.
What are the key properties of hexyl 5-amino-4-oxopentanoate;hydron;chloride?
hexyl 5-amino-4-oxopentanoate;hydron;chloride has a molecular weight of 251.75 g/mol, XLogP of -1.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 5-amino-4-oxopentanoate;hydron;chloride is sourced from PubChem (CID 74765297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).