(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol

C18H23NO3 — CID 10881156

IUPAC(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
SMILESN[C@@H](COCc1ccccc1)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C18H23NO3/c19-17(13-21-11-15-7-3-1-4-8-15)18(20)14-22-12-16-9-5-2-6-10-16/h1-10,17-18,20H,11-14,19H2/t17-,18-/m0/s1
InChIKeyQUVPMQXCZFQGEX-ROUUACIJSA-N
MW301.39 g/mol
LogP2.11
Rot. Bonds9

About (2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol

(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol (PubChem CID 10881156) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
PubChem CID10881156
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
SMILESN[C@@H](COCc1ccccc1)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C18H23NO3/c19-17(13-21-11-15-7-3-1-4-8-15)18(20)14-22-12-16-9-5-2-6-10-16/h1-10,17-18,20H,11-14,19H2/t17-,18-/m0/s1
InChIKeyQUVPMQXCZFQGEX-ROUUACIJSA-N
XLogP2.11
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10713667
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2S,3S)-3-bromo-1,4-bis(phenylmethoxy)butan-2-ol
CID 101083353
CID 172760983
CID 172760983
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
CID 106939746
tert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate
CID 71433233
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
1-amino-3-phenylmethoxypropan-2-ol;oxalic acid
CID 46735900

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol?
The IUPAC name of (2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol (CID 10881156) is (2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol is N[C@@H](COCc1ccccc1)[C@@H](O)COCc1ccccc1.
What is the InChIKey of (2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol?
The InChIKey is QUVPMQXCZFQGEX-ROUUACIJSA-N. The full InChI is InChI=1S/C18H23NO3/c19-17(13-21-11-15-7-3-1-4-8-15)18(20)14-22-12-16-9-5-2-6-10-16/h1-10,17-18,20H,11-14,19H2/t17-,18-/m0/s1.
What are the key properties of (2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol?
(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol has a molecular weight of 301.39 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol is sourced from PubChem (CID 10881156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).