(2R,3R)-1,4-bis(benzylamino)butane-2,3-diol

C18H24N2O2 — CID 501443

IUPAC(2R,3R)-1,4-bis(benzylamino)butane-2,3-diol
SMILESO[C@H](CNCc1ccccc1)[C@H](O)CNCc1ccccc1
InChIInChI=1S/C18H24N2O2/c21-17(13-19-11-15-7-3-1-4-8-15)18(22)14-20-12-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18-/m1/s1
InChIKeyGVHWENRBOYFCFW-QZTJIDSGSA-N
MW300.40 g/mol
LogP1.29
Rot. Bonds9

About (2R,3R)-1,4-bis(benzylamino)butane-2,3-diol

(2R,3R)-1,4-bis(benzylamino)butane-2,3-diol (PubChem CID 501443) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2R,3R)-1,4-bis(benzylamino)butane-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-1,4-bis(benzylamino)butane-2,3-diol
PubChem CID501443
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(2R,3R)-1,4-bis(benzylamino)butane-2,3-diol
SMILESO[C@H](CNCc1ccccc1)[C@H](O)CNCc1ccccc1
InChIInChI=1S/C18H24N2O2/c21-17(13-19-11-15-7-3-1-4-8-15)18(22)14-20-12-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18-/m1/s1
InChIKeyGVHWENRBOYFCFW-QZTJIDSGSA-N
XLogP1.29
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-1,4-bis(benzylamino)butane-2,3-diol 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 (2R,3R)-1,4-bis(benzylamino)butane-2,3-diol?
The IUPAC name of (2R,3R)-1,4-bis(benzylamino)butane-2,3-diol (CID 501443) is (2R,3R)-1,4-bis(benzylamino)butane-2,3-diol.
What is the SMILES notation for (2R,3R)-1,4-bis(benzylamino)butane-2,3-diol?
The canonical SMILES for (2R,3R)-1,4-bis(benzylamino)butane-2,3-diol is O[C@H](CNCc1ccccc1)[C@H](O)CNCc1ccccc1.
What is the InChIKey of (2R,3R)-1,4-bis(benzylamino)butane-2,3-diol?
The InChIKey is GVHWENRBOYFCFW-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-17(13-19-11-15-7-3-1-4-8-15)18(22)14-20-12-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18-/m1/s1.
What are the key properties of (2R,3R)-1,4-bis(benzylamino)butane-2,3-diol?
(2R,3R)-1,4-bis(benzylamino)butane-2,3-diol has a molecular weight of 300.40 g/mol, XLogP of 1.29, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,4-bis(benzylamino)butane-2,3-diol is sourced from PubChem (CID 501443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).