(5S)-5-amino-2-[(2-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid

C15H20FNO3 — CID 158593850

IUPAC(5S)-5-amino-2-[(2-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid
SMILESCC(C)[C@H](N)C(=O)CC(Cc1ccccc1F)C(=O)O
InChIInChI=1S/C15H20FNO3/c1-9(2)14(17)13(18)8-11(15(19)20)7-10-5-3-4-6-12(10)16/h3-6,9,11,14H,7-8,17H2,1-2H3,(H,19,20)/t11?,14-/m0/s1
InChIKeyHUTUOMVPVHVJQT-IAXJKZSUSA-N
MW281.33 g/mol
LogP2.01
Rot. Bonds7

About (5S)-5-amino-2-[(2-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid

(5S)-5-amino-2-[(2-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid (PubChem CID 158593850) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (5S)-5-amino-2-[(2-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid.

Molecular Properties

Compound Name(5S)-5-amino-2-[(2-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid
PubChem CID158593850
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name(5S)-5-amino-2-[(2-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid
SMILESCC(C)[C@H](N)C(=O)CC(Cc1ccccc1F)C(=O)O
InChIInChI=1S/C15H20FNO3/c1-9(2)14(17)13(18)8-11(15(19)20)7-10-5-3-4-6-12(10)16/h3-6,9,11,14H,7-8,17H2,1-2H3,(H,19,20)/t11?,14-/m0/s1
InChIKeyHUTUOMVPVHVJQT-IAXJKZSUSA-N
XLogP2.01
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-amino-2-[(4-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid
CID 142046226
5-amino-2-[(2-fluorophenyl)methyl]-4-oxopentanoic acid
CID 159454907
(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
CID 42329482
2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid
CID 60793786
2-[(2-fluorophenyl)methyl]-3-sulfanylpropanoic acid
CID 15673449
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
2-[(2-fluorophenyl)methyl]-5-methylhex-5-enoic acid
CID 114473256
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
3-amino-1-(2,3-difluorophenyl)-4-methylpentan-2-one
CID 116549114
2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid
CID 60793481
2-(acetylsulfanylmethyl)-3-(2-fluorophenyl)propanoic acid
CID 19604203
2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid
CID 79419065

Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-2-[(2-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid?
The IUPAC name of (5S)-5-amino-2-[(2-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid (CID 158593850) is (5S)-5-amino-2-[(2-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid.
What is the SMILES notation for (5S)-5-amino-2-[(2-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid?
The canonical SMILES for (5S)-5-amino-2-[(2-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid is CC(C)[C@H](N)C(=O)CC(Cc1ccccc1F)C(=O)O.
What is the InChIKey of (5S)-5-amino-2-[(2-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid?
The InChIKey is HUTUOMVPVHVJQT-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-9(2)14(17)13(18)8-11(15(19)20)7-10-5-3-4-6-12(10)16/h3-6,9,11,14H,7-8,17H2,1-2H3,(H,19,20)/t11?,14-/m0/s1.
What are the key properties of (5S)-5-amino-2-[(2-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid?
(5S)-5-amino-2-[(2-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-2-[(2-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid is sourced from PubChem (CID 158593850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).