5-amino-2-methyl-4-oxo-6-phenylhexanoic acid;hydrochloride

C13H18ClNO3 — CID 70519828

IUPAC5-amino-2-methyl-4-oxo-6-phenylhexanoic acid;hydrochloride
SMILESCC(CC(=O)C(N)Cc1ccccc1)C(=O)O.Cl
InChIInChI=1S/C13H17NO3.ClH/c1-9(13(16)17)7-12(15)11(14)8-10-5-3-2-4-6-10;/h2-6,9,11H,7-8,14H2,1H3,(H,16,17);1H
InChIKeyALLWYFIALFFYEG-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.66
Rot. Bonds6

About 5-amino-2-methyl-4-oxo-6-phenylhexanoic acid;hydrochloride

5-amino-2-methyl-4-oxo-6-phenylhexanoic acid;hydrochloride (PubChem CID 70519828) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 5-amino-2-methyl-4-oxo-6-phenylhexanoic acid;hydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-4-oxo-6-phenylhexanoic acid;hydrochloride
PubChem CID70519828
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name5-amino-2-methyl-4-oxo-6-phenylhexanoic acid;hydrochloride
SMILESCC(CC(=O)C(N)Cc1ccccc1)C(=O)O.Cl
InChIInChI=1S/C13H17NO3.ClH/c1-9(13(16)17)7-12(15)11(14)8-10-5-3-2-4-6-10;/h2-6,9,11H,7-8,14H2,1H3,(H,16,17);1H
InChIKeyALLWYFIALFFYEG-UHFFFAOYSA-N
XLogP1.66
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-amino-2-methyl-4-oxo-6-phenylhexanoic acid
CID 70519823
(2S)-2,7-diamino-4-methyl-6-oxo-8-phenyloctanoic acid
CID 67828765
(2S)-2-amino-3-phenylpropanoic acid;2-hydroxypropanoic acid;hydrochloride
CID 158951284
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
3-amino-1,4-diphenylbutan-2-one
CID 20792391
alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride
CID 173334199
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
(3S)-1,3-diamino-4-phenylbutan-2-one
CID 69216452
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-4-oxo-6-phenylhexanoic acid;hydrochloride?
The IUPAC name of 5-amino-2-methyl-4-oxo-6-phenylhexanoic acid;hydrochloride (CID 70519828) is 5-amino-2-methyl-4-oxo-6-phenylhexanoic acid;hydrochloride.
What is the SMILES notation for 5-amino-2-methyl-4-oxo-6-phenylhexanoic acid;hydrochloride?
The canonical SMILES for 5-amino-2-methyl-4-oxo-6-phenylhexanoic acid;hydrochloride is CC(CC(=O)C(N)Cc1ccccc1)C(=O)O.Cl.
What is the InChIKey of 5-amino-2-methyl-4-oxo-6-phenylhexanoic acid;hydrochloride?
The InChIKey is ALLWYFIALFFYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3.ClH/c1-9(13(16)17)7-12(15)11(14)8-10-5-3-2-4-6-10;/h2-6,9,11H,7-8,14H2,1H3,(H,16,17);1H.
What are the key properties of 5-amino-2-methyl-4-oxo-6-phenylhexanoic acid;hydrochloride?
5-amino-2-methyl-4-oxo-6-phenylhexanoic acid;hydrochloride has a molecular weight of 271.74 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-4-oxo-6-phenylhexanoic acid;hydrochloride is sourced from PubChem (CID 70519828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).