hexyl 5-amino-2-oxopentanoate;hydrochloride

C11H22ClNO3 — CID 140983647

IUPAChexyl 5-amino-2-oxopentanoate;hydrochloride
SMILESCCCCCCOC(=O)C(=O)CCCN.Cl
InChIInChI=1S/C11H21NO3.ClH/c1-2-3-4-5-9-15-11(14)10(13)7-6-8-12;/h2-9,12H2,1H3;1H
InChIKeyZIDDLCYBXFIHMP-UHFFFAOYSA-N
MW251.75 g/mol
LogP1.84
Rot. Bonds9

About hexyl 5-amino-2-oxopentanoate;hydrochloride

hexyl 5-amino-2-oxopentanoate;hydrochloride (PubChem CID 140983647) has the molecular formula C11H22ClNO3 and a molecular weight of 251.75 g/mol. Its IUPAC name is hexyl 5-amino-2-oxopentanoate;hydrochloride.

Molecular Properties

Compound Namehexyl 5-amino-2-oxopentanoate;hydrochloride
PubChem CID140983647
Molecular FormulaC11H22ClNO3
Molecular Weight251.75 g/mol
Exact Mass251.13
IUPAC Namehexyl 5-amino-2-oxopentanoate;hydrochloride
SMILESCCCCCCOC(=O)C(=O)CCCN.Cl
InChIInChI=1S/C11H21NO3.ClH/c1-2-3-4-5-9-15-11(14)10(13)7-6-8-12;/h2-9,12H2,1H3;1H
InChIKeyZIDDLCYBXFIHMP-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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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Related Compounds

Hexaminolevulinate Hydrochloride
CID 6433082
Methyl-5-amino-2-oxopentanoate
CID 140983643
Tert-butyl 5-amino-2-oxopentanoate
CID 58474883
Hexyl 5-aminopentanoate
CID 64059111
Hexyl 5-amino-4-oxopentanoate;hydron;chloride
CID 74765297
5-Aminohexyl 2-oxopropanoate
CID 126636820
Methyl 5-amino-2-oxopentanoate;hydrochloride
CID 140983642
Ethyl 5-amino-2-oxopentanoate
CID 140983644
Heptyl 5-amino-2-oxopentanoate
CID 140983646
Hexyl 5-amino-2-oxopentanoate
CID 140983648
Octyl 5-amino-2-oxopentanoate;hydrochloride
CID 140983649
Ethyl 5-amino-2-oxopentanoate;hydrochloride
CID 140983651

Frequently Asked Questions

What is the IUPAC name of hexyl 5-amino-2-oxopentanoate;hydrochloride?
The IUPAC name of hexyl 5-amino-2-oxopentanoate;hydrochloride (CID 140983647) is hexyl 5-amino-2-oxopentanoate;hydrochloride.
What is the SMILES notation for hexyl 5-amino-2-oxopentanoate;hydrochloride?
The canonical SMILES for hexyl 5-amino-2-oxopentanoate;hydrochloride is CCCCCCOC(=O)C(=O)CCCN.Cl.
What is the InChIKey of hexyl 5-amino-2-oxopentanoate;hydrochloride?
The InChIKey is ZIDDLCYBXFIHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3.ClH/c1-2-3-4-5-9-15-11(14)10(13)7-6-8-12;/h2-9,12H2,1H3;1H.
What are the key properties of hexyl 5-amino-2-oxopentanoate;hydrochloride?
hexyl 5-amino-2-oxopentanoate;hydrochloride has a molecular weight of 251.75 g/mol, XLogP of 1.84, 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;hydrochloride is sourced from PubChem (CID 140983647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).