(2R,3R)-1,4-bis[[(1S)-1-phenylethyl]amino]butane-2,3-diol

C20H28N2O2 — CID 5494859

IUPAC(2R,3R)-1,4-bis[[(1S)-1-phenylethyl]amino]butane-2,3-diol
SMILESC[C@H](NC[C@@H](O)[C@H](O)CN[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28N2O2/c1-15(17-9-5-3-6-10-17)21-13-19(23)20(24)14-22-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-24H,13-14H2,1-2H3/t15-,16-,19+,20+/m0/s1
InChIKeyYYRPYLTZDMTOFU-XAMWDVODSA-N
MW328.46 g/mol
LogP2.41
Rot. Bonds9

About (2R,3R)-1,4-bis[[(1S)-1-phenylethyl]amino]butane-2,3-diol

(2R,3R)-1,4-bis[[(1S)-1-phenylethyl]amino]butane-2,3-diol (PubChem CID 5494859) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (2R,3R)-1,4-bis[[(1S)-1-phenylethyl]amino]butane-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-1,4-bis[[(1S)-1-phenylethyl]amino]butane-2,3-diol
PubChem CID5494859
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(2R,3R)-1,4-bis[[(1S)-1-phenylethyl]amino]butane-2,3-diol
SMILESC[C@H](NC[C@@H](O)[C@H](O)CN[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28N2O2/c1-15(17-9-5-3-6-10-17)21-13-19(23)20(24)14-22-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-24H,13-14H2,1-2H3/t15-,16-,19+,20+/m0/s1
InChIKeyYYRPYLTZDMTOFU-XAMWDVODSA-N
XLogP2.41
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-1,4-bis[[(1S)-1-phenylethyl]amino]butane-2,3-diol with MolForge

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Related Compounds

2-((1-Phenylethyl)amino)ethan-1-ol
CID 14909
1,3-Propanediol, 2-(((1,1'-biphenyl)-4-ylmethyl)amino)-2-methyl-, hydrochloride
CID 149654
2-(Benzylamino)propan-1-ol
CID 138873
(R)-2-(benzylamino)butan-1-ol
CID 927306
(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
(2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-(4-phenylphenyl)ethyl]amino]methyl]pyrrolidine-3,4-diol
CID 44177402
1,3-Bis(((3-(aminomethyl)phenyl)methyl)amino)propan-2-ol
CID 3021167
N-Benzyl-L-alaninol
CID 5356540
1-(Benzylamino)propan-2-ol
CID 97731
2-(Benzylamino)-2-phenylethan-1-ol
CID 234875
(2S)-2-(benzylamino)butan-1-ol
CID 927305
(1R,2R)-2-(benzylamino)cyclohexanol
CID 2724650

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,4-bis[[(1S)-1-phenylethyl]amino]butane-2,3-diol?
The IUPAC name of (2R,3R)-1,4-bis[[(1S)-1-phenylethyl]amino]butane-2,3-diol (CID 5494859) is (2R,3R)-1,4-bis[[(1S)-1-phenylethyl]amino]butane-2,3-diol.
What is the SMILES notation for (2R,3R)-1,4-bis[[(1S)-1-phenylethyl]amino]butane-2,3-diol?
The canonical SMILES for (2R,3R)-1,4-bis[[(1S)-1-phenylethyl]amino]butane-2,3-diol is C[C@H](NC[C@@H](O)[C@H](O)CN[C@@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R)-1,4-bis[[(1S)-1-phenylethyl]amino]butane-2,3-diol?
The InChIKey is YYRPYLTZDMTOFU-XAMWDVODSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15(17-9-5-3-6-10-17)21-13-19(23)20(24)14-22-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-24H,13-14H2,1-2H3/t15-,16-,19+,20+/m0/s1.
What are the key properties of (2R,3R)-1,4-bis[[(1S)-1-phenylethyl]amino]butane-2,3-diol?
(2R,3R)-1,4-bis[[(1S)-1-phenylethyl]amino]butane-2,3-diol has a molecular weight of 328.46 g/mol, XLogP of 2.41, 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[[(1S)-1-phenylethyl]amino]butane-2,3-diol is sourced from PubChem (CID 5494859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).