(3S,4S)-4-(dibenzylamino)-5-phenyl-3-phenylmethoxypentanoic acid

C32H33NO3 — CID 11386063

IUPAC(3S,4S)-4-(dibenzylamino)-5-phenyl-3-phenylmethoxypentanoic acid
SMILESO=C(O)C[C@H](OCc1ccccc1)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H33NO3/c34-32(35)22-31(36-25-29-19-11-4-12-20-29)30(21-26-13-5-1-6-14-26)33(23-27-15-7-2-8-16-27)24-28-17-9-3-10-18-28/h1-20,30-31H,21-25H2,(H,34,35)/t30-,31-/m0/s1
InChIKeyCEWIQFUDXWLZSA-CONSDPRKSA-N
MW479.62 g/mol
LogP6.36
Rot. Bonds13

About (3S,4S)-4-(dibenzylamino)-5-phenyl-3-phenylmethoxypentanoic acid

(3S,4S)-4-(dibenzylamino)-5-phenyl-3-phenylmethoxypentanoic acid (PubChem CID 11386063) has the molecular formula C32H33NO3 and a molecular weight of 479.62 g/mol. Its IUPAC name is (3S,4S)-4-(dibenzylamino)-5-phenyl-3-phenylmethoxypentanoic acid.

Molecular Properties

Compound Name(3S,4S)-4-(dibenzylamino)-5-phenyl-3-phenylmethoxypentanoic acid
PubChem CID11386063
Molecular FormulaC32H33NO3
Molecular Weight479.62 g/mol
Exact Mass479.25
IUPAC Name(3S,4S)-4-(dibenzylamino)-5-phenyl-3-phenylmethoxypentanoic acid
SMILESO=C(O)C[C@H](OCc1ccccc1)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H33NO3/c34-32(35)22-31(36-25-29-19-11-4-12-20-29)30(21-26-13-5-1-6-14-26)33(23-27-15-7-2-8-16-27)24-28-17-9-3-10-18-28/h1-20,30-31H,21-25H2,(H,34,35)/t30-,31-/m0/s1
InChIKeyCEWIQFUDXWLZSA-CONSDPRKSA-N
XLogP6.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.62
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(dibenzylamino)-5-phenyl-3-phenylmethoxypentanoic acid?
The IUPAC name of (3S,4S)-4-(dibenzylamino)-5-phenyl-3-phenylmethoxypentanoic acid (CID 11386063) is (3S,4S)-4-(dibenzylamino)-5-phenyl-3-phenylmethoxypentanoic acid.
What is the SMILES notation for (3S,4S)-4-(dibenzylamino)-5-phenyl-3-phenylmethoxypentanoic acid?
The canonical SMILES for (3S,4S)-4-(dibenzylamino)-5-phenyl-3-phenylmethoxypentanoic acid is O=C(O)C[C@H](OCc1ccccc1)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3S,4S)-4-(dibenzylamino)-5-phenyl-3-phenylmethoxypentanoic acid?
The InChIKey is CEWIQFUDXWLZSA-CONSDPRKSA-N. The full InChI is InChI=1S/C32H33NO3/c34-32(35)22-31(36-25-29-19-11-4-12-20-29)30(21-26-13-5-1-6-14-26)33(23-27-15-7-2-8-16-27)24-28-17-9-3-10-18-28/h1-20,30-31H,21-25H2,(H,34,35)/t30-,31-/m0/s1.
What are the key properties of (3S,4S)-4-(dibenzylamino)-5-phenyl-3-phenylmethoxypentanoic acid?
(3S,4S)-4-(dibenzylamino)-5-phenyl-3-phenylmethoxypentanoic acid has a molecular weight of 479.62 g/mol, XLogP of 6.36, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(dibenzylamino)-5-phenyl-3-phenylmethoxypentanoic acid is sourced from PubChem (CID 11386063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).