ethyl (2S)-2-(dibenzylamino)propanoate

C19H23NO2 — CID 10891827

IUPACethyl (2S)-2-(dibenzylamino)propanoate
SMILESCCOC(=O)[C@H](C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO2/c1-3-22-19(21)16(2)20(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,16H,3,14-15H2,1-2H3/t16-/m0/s1
InChIKeyBYIJUEMWFHFUIJ-INIZCTEOSA-N
MW297.40 g/mol
LogP3.64
Rot. Bonds7

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

ethyl (2S)-2-(dibenzylamino)propanoate (PubChem CID 10891827) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl (2S)-2-(dibenzylamino)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(dibenzylamino)propanoate
PubChem CID10891827
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Nameethyl (2S)-2-(dibenzylamino)propanoate
SMILESCCOC(=O)[C@H](C)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO2/c1-3-22-19(21)16(2)20(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,16H,3,14-15H2,1-2H3/t16-/m0/s1
InChIKeyBYIJUEMWFHFUIJ-INIZCTEOSA-N
XLogP3.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(dibenzylamino)propanoate?
The IUPAC name of ethyl (2S)-2-(dibenzylamino)propanoate (CID 10891827) is ethyl (2S)-2-(dibenzylamino)propanoate.
What is the SMILES notation for ethyl (2S)-2-(dibenzylamino)propanoate?
The canonical SMILES for ethyl (2S)-2-(dibenzylamino)propanoate is CCOC(=O)[C@H](C)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of ethyl (2S)-2-(dibenzylamino)propanoate?
The InChIKey is BYIJUEMWFHFUIJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-22-19(21)16(2)20(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13,16H,3,14-15H2,1-2H3/t16-/m0/s1.
What are the key properties of ethyl (2S)-2-(dibenzylamino)propanoate?
ethyl (2S)-2-(dibenzylamino)propanoate has a molecular weight of 297.40 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(dibenzylamino)propanoate is sourced from PubChem (CID 10891827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).