benzyl (2S)-2-(dibenzylamino)-5-hydroxypentanoate

C26H29NO3 — CID 11704106

IUPACbenzyl (2S)-2-(dibenzylamino)-5-hydroxypentanoate
SMILESO=C(OCc1ccccc1)[C@H](CCCO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H29NO3/c28-18-10-17-25(26(29)30-21-24-15-8-3-9-16-24)27(19-22-11-4-1-5-12-22)20-23-13-6-2-7-14-23/h1-9,11-16,25,28H,10,17-21H2/t25-/m0/s1
InChIKeyFLHNNBIEYWIONI-VWLOTQADSA-N
MW403.52 g/mol
LogP4.57
Rot. Bonds11

About benzyl (2S)-2-(dibenzylamino)-5-hydroxypentanoate

benzyl (2S)-2-(dibenzylamino)-5-hydroxypentanoate (PubChem CID 11704106) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is benzyl (2S)-2-(dibenzylamino)-5-hydroxypentanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-(dibenzylamino)-5-hydroxypentanoate
PubChem CID11704106
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Namebenzyl (2S)-2-(dibenzylamino)-5-hydroxypentanoate
SMILESO=C(OCc1ccccc1)[C@H](CCCO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H29NO3/c28-18-10-17-25(26(29)30-21-24-15-8-3-9-16-24)27(19-22-11-4-1-5-12-22)20-23-13-6-2-7-14-23/h1-9,11-16,25,28H,10,17-21H2/t25-/m0/s1
InChIKeyFLHNNBIEYWIONI-VWLOTQADSA-N
XLogP4.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(dibenzylamino)-5-hydroxypentanoate?
The IUPAC name of benzyl (2S)-2-(dibenzylamino)-5-hydroxypentanoate (CID 11704106) is benzyl (2S)-2-(dibenzylamino)-5-hydroxypentanoate.
What is the SMILES notation for benzyl (2S)-2-(dibenzylamino)-5-hydroxypentanoate?
The canonical SMILES for benzyl (2S)-2-(dibenzylamino)-5-hydroxypentanoate is O=C(OCc1ccccc1)[C@H](CCCO)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of benzyl (2S)-2-(dibenzylamino)-5-hydroxypentanoate?
The InChIKey is FLHNNBIEYWIONI-VWLOTQADSA-N. The full InChI is InChI=1S/C26H29NO3/c28-18-10-17-25(26(29)30-21-24-15-8-3-9-16-24)27(19-22-11-4-1-5-12-22)20-23-13-6-2-7-14-23/h1-9,11-16,25,28H,10,17-21H2/t25-/m0/s1.
What are the key properties of benzyl (2S)-2-(dibenzylamino)-5-hydroxypentanoate?
benzyl (2S)-2-(dibenzylamino)-5-hydroxypentanoate has a molecular weight of 403.52 g/mol, XLogP of 4.57, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-(dibenzylamino)-5-hydroxypentanoate is sourced from PubChem (CID 11704106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).