benzyl (2S)-2-(dibenzylamino)propanoate

C24H25NO2 — CID 10904467

IUPACbenzyl (2S)-2-(dibenzylamino)propanoate
SMILESC[C@@H](C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25NO2/c1-20(24(26)27-19-23-15-9-4-10-16-23)25(17-21-11-5-2-6-12-21)18-22-13-7-3-8-14-22/h2-16,20H,17-19H2,1H3/t20-/m0/s1
InChIKeyMNOBWYXQIILDKX-FQEVSTJZSA-N
MW359.47 g/mol
LogP4.82
Rot. Bonds8

About benzyl (2S)-2-(dibenzylamino)propanoate

benzyl (2S)-2-(dibenzylamino)propanoate (PubChem CID 10904467) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is benzyl (2S)-2-(dibenzylamino)propanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-(dibenzylamino)propanoate
PubChem CID10904467
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Namebenzyl (2S)-2-(dibenzylamino)propanoate
SMILESC[C@@H](C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25NO2/c1-20(24(26)27-19-23-15-9-4-10-16-23)25(17-21-11-5-2-6-12-21)18-22-13-7-3-8-14-22/h2-16,20H,17-19H2,1H3/t20-/m0/s1
InChIKeyMNOBWYXQIILDKX-FQEVSTJZSA-N
XLogP4.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(dibenzylamino)propanoate?
The IUPAC name of benzyl (2S)-2-(dibenzylamino)propanoate (CID 10904467) is benzyl (2S)-2-(dibenzylamino)propanoate.
What is the SMILES notation for benzyl (2S)-2-(dibenzylamino)propanoate?
The canonical SMILES for benzyl (2S)-2-(dibenzylamino)propanoate is C[C@@H](C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of benzyl (2S)-2-(dibenzylamino)propanoate?
The InChIKey is MNOBWYXQIILDKX-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25NO2/c1-20(24(26)27-19-23-15-9-4-10-16-23)25(17-21-11-5-2-6-12-21)18-22-13-7-3-8-14-22/h2-16,20H,17-19H2,1H3/t20-/m0/s1.
What are the key properties of benzyl (2S)-2-(dibenzylamino)propanoate?
benzyl (2S)-2-(dibenzylamino)propanoate has a molecular weight of 359.47 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-(dibenzylamino)propanoate is sourced from PubChem (CID 10904467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).