(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid

C12H17NO3 — CID 11117672

IUPAC(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid
SMILESN[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)O
InChIInChI=1S/C12H17NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8,13H2,(H,15,16)/t10-,11-/m0/s1
InChIKeyRZDSOGPADIZKDQ-QWRGUYRKSA-N
MW223.27 g/mol
LogP0.78
Rot. Bonds6

About (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid

(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid (PubChem CID 11117672) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid.

Molecular Properties

Compound Name(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid
PubChem CID11117672
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid
SMILESN[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)O
InChIInChI=1S/C12H17NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8,13H2,(H,15,16)/t10-,11-/m0/s1
InChIKeyRZDSOGPADIZKDQ-QWRGUYRKSA-N
XLogP0.78
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid?
The IUPAC name of (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid (CID 11117672) is (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid.
What is the SMILES notation for (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid?
The canonical SMILES for (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid is N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)O.
What is the InChIKey of (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid?
The InChIKey is RZDSOGPADIZKDQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H17NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8,13H2,(H,15,16)/t10-,11-/m0/s1.
What are the key properties of (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid?
(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid has a molecular weight of 223.27 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid is sourced from PubChem (CID 11117672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).