(2R,3S)-3-(dibenzylamino)butane-1,2-diol

C18H23NO2 — CID 11708989

IUPAC(2R,3S)-3-(dibenzylamino)butane-1,2-diol
SMILESC[C@@H]([C@@H](O)CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23NO2/c1-15(18(21)14-20)19(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,15,18,20-21H,12-14H2,1H3/t15-,18-/m0/s1
InChIKeyRMCUPISQJOMTAJ-YJBOKZPZSA-N
MW285.39 g/mol
LogP2.43
Rot. Bonds7

About (2R,3S)-3-(dibenzylamino)butane-1,2-diol

(2R,3S)-3-(dibenzylamino)butane-1,2-diol (PubChem CID 11708989) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2R,3S)-3-(dibenzylamino)butane-1,2-diol.

Molecular Properties

Compound Name(2R,3S)-3-(dibenzylamino)butane-1,2-diol
PubChem CID11708989
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(2R,3S)-3-(dibenzylamino)butane-1,2-diol
SMILESC[C@@H]([C@@H](O)CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H23NO2/c1-15(18(21)14-20)19(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,15,18,20-21H,12-14H2,1H3/t15-,18-/m0/s1
InChIKeyRMCUPISQJOMTAJ-YJBOKZPZSA-N
XLogP2.43
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(dibenzylamino)butane-1,2-diol?
The IUPAC name of (2R,3S)-3-(dibenzylamino)butane-1,2-diol (CID 11708989) is (2R,3S)-3-(dibenzylamino)butane-1,2-diol.
What is the SMILES notation for (2R,3S)-3-(dibenzylamino)butane-1,2-diol?
The canonical SMILES for (2R,3S)-3-(dibenzylamino)butane-1,2-diol is C[C@@H]([C@@H](O)CO)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R,3S)-3-(dibenzylamino)butane-1,2-diol?
The InChIKey is RMCUPISQJOMTAJ-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15(18(21)14-20)19(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,15,18,20-21H,12-14H2,1H3/t15-,18-/m0/s1.
What are the key properties of (2R,3S)-3-(dibenzylamino)butane-1,2-diol?
(2R,3S)-3-(dibenzylamino)butane-1,2-diol has a molecular weight of 285.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(dibenzylamino)butane-1,2-diol is sourced from PubChem (CID 11708989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).