cyclohexyl 5-amino-4-oxopentanoate;hydrochloride

C11H20ClNO3 — CID 22253131

IUPACcyclohexyl 5-amino-4-oxopentanoate;hydrochloride
SMILESCl.NCC(=O)CCC(=O)OC1CCCCC1
InChIInChI=1S/C11H19NO3.ClH/c12-8-9(13)6-7-11(14)15-10-4-2-1-3-5-10;/h10H,1-8,12H2;1H
InChIKeyVZTILHVPOPQLJN-UHFFFAOYSA-N
MW249.74 g/mol
LogP1.59
Rot. Bonds5

About cyclohexyl 5-amino-4-oxopentanoate;hydrochloride

cyclohexyl 5-amino-4-oxopentanoate;hydrochloride (PubChem CID 22253131) has the molecular formula C11H20ClNO3 and a molecular weight of 249.74 g/mol. Its IUPAC name is cyclohexyl 5-amino-4-oxopentanoate;hydrochloride.

Molecular Properties

Compound Namecyclohexyl 5-amino-4-oxopentanoate;hydrochloride
PubChem CID22253131
Molecular FormulaC11H20ClNO3
Molecular Weight249.74 g/mol
Exact Mass249.11
IUPAC Namecyclohexyl 5-amino-4-oxopentanoate;hydrochloride
SMILESCl.NCC(=O)CCC(=O)OC1CCCCC1
InChIInChI=1S/C11H19NO3.ClH/c12-8-9(13)6-7-11(14)15-10-4-2-1-3-5-10;/h10H,1-8,12H2;1H
InChIKeyVZTILHVPOPQLJN-UHFFFAOYSA-N
XLogP1.59
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 70581321
CID 70581321
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4-O-cyclobutyl 1-O-ethyl butanedioate
CID 91702391
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CID 174620917
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CID 171623648
potassium;cyclohexyl butanoate;hydride
CID 174359508
6-cyclohexyloxy-6-oxohexanoic acid
CID 175099277
strontium;cyclohexyl butanoate;hydride
CID 173148532

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 5-amino-4-oxopentanoate;hydrochloride?
The IUPAC name of cyclohexyl 5-amino-4-oxopentanoate;hydrochloride (CID 22253131) is cyclohexyl 5-amino-4-oxopentanoate;hydrochloride.
What is the SMILES notation for cyclohexyl 5-amino-4-oxopentanoate;hydrochloride?
The canonical SMILES for cyclohexyl 5-amino-4-oxopentanoate;hydrochloride is Cl.NCC(=O)CCC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 5-amino-4-oxopentanoate;hydrochloride?
The InChIKey is VZTILHVPOPQLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3.ClH/c12-8-9(13)6-7-11(14)15-10-4-2-1-3-5-10;/h10H,1-8,12H2;1H.
What are the key properties of cyclohexyl 5-amino-4-oxopentanoate;hydrochloride?
cyclohexyl 5-amino-4-oxopentanoate;hydrochloride has a molecular weight of 249.74 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 5-amino-4-oxopentanoate;hydrochloride is sourced from PubChem (CID 22253131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).