(2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid

C19H23NO3 — CID 22874191

IUPAC(2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid
SMILESN[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18+/m1/s1
InChIKeyFXTZKZFWIYSHRP-SQNIBIBYSA-N
MW313.40 g/mol
LogP2.25
Rot. Bonds8

About (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid

(2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid (PubChem CID 22874191) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid.

Molecular Properties

Compound Name(2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid
PubChem CID22874191
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid
SMILESN[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18+/m1/s1
InChIKeyFXTZKZFWIYSHRP-SQNIBIBYSA-N
XLogP2.25
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid?
The IUPAC name of (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid (CID 22874191) is (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid.
What is the SMILES notation for (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid?
The canonical SMILES for (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid is N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid?
The InChIKey is FXTZKZFWIYSHRP-SQNIBIBYSA-N. The full InChI is InChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18+/m1/s1.
What are the key properties of (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid?
(2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid has a molecular weight of 313.40 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid is sourced from PubChem (CID 22874191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).