(2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol

C11H15NO3 — CID 1126499

IUPAC(2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](Nc2ccccc2)C[C@@H]1O
InChIInChI=1S/C11H15NO3/c13-7-10-9(14)6-11(15-10)12-8-4-2-1-3-5-8/h1-5,9-14H,6-7H2/t9-,10+,11+/m0/s1
InChIKeyOYCBOKNPGJKONC-HBNTYKKESA-N
MW209.25 g/mol
LogP0.57
Rot. Bonds3

About (2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 1126499) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol
PubChem CID1126499
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](Nc2ccccc2)C[C@@H]1O
InChIInChI=1S/C11H15NO3/c13-7-10-9(14)6-11(15-10)12-8-4-2-1-3-5-8/h1-5,9-14H,6-7H2/t9-,10+,11+/m0/s1
InChIKeyOYCBOKNPGJKONC-HBNTYKKESA-N
XLogP0.57
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,5S)-5-[4-[4-[[(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]anilino]-2-(hydroxymethyl)oxolan-3-ol
CID 98246477
(2S,3S,4R,6S)-6-[4-[[(2S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]anilino]-2-(hydroxymethyl)oxane-3,4-diol
CID 7308433
(2S,3S,4S,6S)-6-[4-[[(2S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]anilino]-2-(hydroxymethyl)oxane-3,4-diol
CID 7308431
[2-[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]boronic acid
CID 10729527
(6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 143582068
(2S,3R,4R,5R,6S)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 6938933
2-(hydroxymethyl)-5-[3-[hydroxy(oxido)amino]-4-methylanilino]oxolan-3-ol
CID 163137734
N-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]formamide
CID 58621937
2-(hydroxymethyl)-5-(2-methyl-5-nitroanilino)oxolan-3-ol
CID 2848917
(2R,3R,5R)-2-(hydroxymethyl)-5-(4-phenyldiazenylphenyl)oxolan-3-ol
CID 59119138
5-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 175827969
2-(hydroxymethyl)-5-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl]oxolan-3-ol
CID 22897703

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol (CID 1126499) is (2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol is OC[C@H]1O[C@@H](Nc2ccccc2)C[C@@H]1O.
What is the InChIKey of (2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is OYCBOKNPGJKONC-HBNTYKKESA-N. The full InChI is InChI=1S/C11H15NO3/c13-7-10-9(14)6-11(15-10)12-8-4-2-1-3-5-8/h1-5,9-14H,6-7H2/t9-,10+,11+/m0/s1.
What are the key properties of (2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 209.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 1126499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).