(5S)-5-amino-4-oxo-6-phenylhexanoic acid

C12H15NO3 — CID 11775677

IUPAC(5S)-5-amino-4-oxo-6-phenylhexanoic acid
SMILESN[C@@H](Cc1ccccc1)C(=O)CCC(=O)O
InChIInChI=1S/C12H15NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,15,16)/t10-/m0/s1
InChIKeyFNZLAQCJPCXSEX-JTQLQIEISA-N
MW221.26 g/mol
LogP0.99
Rot. Bonds6

About (5S)-5-amino-4-oxo-6-phenylhexanoic acid

(5S)-5-amino-4-oxo-6-phenylhexanoic acid (PubChem CID 11775677) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (5S)-5-amino-4-oxo-6-phenylhexanoic acid.

Molecular Properties

Compound Name(5S)-5-amino-4-oxo-6-phenylhexanoic acid
PubChem CID11775677
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(5S)-5-amino-4-oxo-6-phenylhexanoic acid
SMILESN[C@@H](Cc1ccccc1)C(=O)CCC(=O)O
InChIInChI=1S/C12H15NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,15,16)/t10-/m0/s1
InChIKeyFNZLAQCJPCXSEX-JTQLQIEISA-N
XLogP0.99
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-4-oxo-6-phenylhexanoic acid?
The IUPAC name of (5S)-5-amino-4-oxo-6-phenylhexanoic acid (CID 11775677) is (5S)-5-amino-4-oxo-6-phenylhexanoic acid.
What is the SMILES notation for (5S)-5-amino-4-oxo-6-phenylhexanoic acid?
The canonical SMILES for (5S)-5-amino-4-oxo-6-phenylhexanoic acid is N[C@@H](Cc1ccccc1)C(=O)CCC(=O)O.
What is the InChIKey of (5S)-5-amino-4-oxo-6-phenylhexanoic acid?
The InChIKey is FNZLAQCJPCXSEX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,15,16)/t10-/m0/s1.
What are the key properties of (5S)-5-amino-4-oxo-6-phenylhexanoic acid?
(5S)-5-amino-4-oxo-6-phenylhexanoic acid has a molecular weight of 221.26 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-4-oxo-6-phenylhexanoic acid is sourced from PubChem (CID 11775677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).