ethyl 4-(dibenzylamino)-2,3-dihydroxybutanoate

C20H25NO4 — CID 610823

IUPACethyl 4-(dibenzylamino)-2,3-dihydroxybutanoate
SMILESCCOC(=O)C(O)C(O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO4/c1-2-25-20(24)19(23)18(22)15-21(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,18-19,22-23H,2,13-15H2,1H3
InChIKeyIRFTXHVTQGJIBG-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.97
Rot. Bonds9

About ethyl 4-(dibenzylamino)-2,3-dihydroxybutanoate

ethyl 4-(dibenzylamino)-2,3-dihydroxybutanoate (PubChem CID 610823) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is ethyl 4-(dibenzylamino)-2,3-dihydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(dibenzylamino)-2,3-dihydroxybutanoate
PubChem CID610823
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Nameethyl 4-(dibenzylamino)-2,3-dihydroxybutanoate
SMILESCCOC(=O)C(O)C(O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO4/c1-2-25-20(24)19(23)18(22)15-21(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,18-19,22-23H,2,13-15H2,1H3
InChIKeyIRFTXHVTQGJIBG-UHFFFAOYSA-N
XLogP1.97
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(dibenzylamino)-2,3-dihydroxybutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(dibenzylamino)-2,3-dihydroxybutanoate?
The IUPAC name of ethyl 4-(dibenzylamino)-2,3-dihydroxybutanoate (CID 610823) is ethyl 4-(dibenzylamino)-2,3-dihydroxybutanoate.
What is the SMILES notation for ethyl 4-(dibenzylamino)-2,3-dihydroxybutanoate?
The canonical SMILES for ethyl 4-(dibenzylamino)-2,3-dihydroxybutanoate is CCOC(=O)C(O)C(O)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of ethyl 4-(dibenzylamino)-2,3-dihydroxybutanoate?
The InChIKey is IRFTXHVTQGJIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-2-25-20(24)19(23)18(22)15-21(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,18-19,22-23H,2,13-15H2,1H3.
What are the key properties of ethyl 4-(dibenzylamino)-2,3-dihydroxybutanoate?
ethyl 4-(dibenzylamino)-2,3-dihydroxybutanoate has a molecular weight of 343.42 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(dibenzylamino)-2,3-dihydroxybutanoate is sourced from PubChem (CID 610823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).