(2R,3S,4R,5R)-2-[(4-propylanilino)methyl]oxane-2,3,4,5-tetrol

C15H23NO5 — CID 11551115

IUPAC(2R,3S,4R,5R)-2-[(4-propylanilino)methyl]oxane-2,3,4,5-tetrol
SMILESCCCc1ccc(NC[C@@]2(O)OC[C@@H](O)[C@@H](O)[C@@H]2O)cc1
InChIInChI=1S/C15H23NO5/c1-2-3-10-4-6-11(7-5-10)16-9-15(20)14(19)13(18)12(17)8-21-15/h4-7,12-14,16-20H,2-3,8-9H2,1H3/t12-,13-,14+,15-/m1/s1
InChIKeyNWVYYDQPIAQERZ-APIJFGDWSA-N
MW297.35 g/mol
LogP-0.15
Rot. Bonds5

About (2R,3S,4R,5R)-2-[(4-propylanilino)methyl]oxane-2,3,4,5-tetrol

(2R,3S,4R,5R)-2-[(4-propylanilino)methyl]oxane-2,3,4,5-tetrol (PubChem CID 11551115) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-[(4-propylanilino)methyl]oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-[(4-propylanilino)methyl]oxane-2,3,4,5-tetrol
PubChem CID11551115
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name(2R,3S,4R,5R)-2-[(4-propylanilino)methyl]oxane-2,3,4,5-tetrol
SMILESCCCc1ccc(NC[C@@]2(O)OC[C@@H](O)[C@@H](O)[C@@H]2O)cc1
InChIInChI=1S/C15H23NO5/c1-2-3-10-4-6-11(7-5-10)16-9-15(20)14(19)13(18)12(17)8-21-15/h4-7,12-14,16-20H,2-3,8-9H2,1H3/t12-,13-,14+,15-/m1/s1
InChIKeyNWVYYDQPIAQERZ-APIJFGDWSA-N
XLogP-0.15
TPSA102.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 5-0.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4S,5R)-2-pentyloxane-2,3,4,5-tetrol
CID 70508111
(4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71751872
(4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 22814148
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline
CID 115244481
N-(4-propylphenyl)oxetan-3-amine
CID 63624203
(2S,3R,4S,5R)-2-(hexoxymethyl)oxane-2,3,4,5-tetrol
CID 57069557
2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol
CID 112633298
N-(4-propylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897977
1-(4-propylanilino)propan-2-ol
CID 60884974
2-(4-propylanilino)ethanethiol
CID 115223632
trans-(1R,2R)-2-(4-propylanilino)cyclopentan-1-ol
CID 102733092
trans-(1S,2S)-2-(4-propylanilino)cyclopentan-1-ol
CID 102733091

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-[(4-propylanilino)methyl]oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3S,4R,5R)-2-[(4-propylanilino)methyl]oxane-2,3,4,5-tetrol (CID 11551115) is (2R,3S,4R,5R)-2-[(4-propylanilino)methyl]oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3S,4R,5R)-2-[(4-propylanilino)methyl]oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3S,4R,5R)-2-[(4-propylanilino)methyl]oxane-2,3,4,5-tetrol is CCCc1ccc(NC[C@@]2(O)OC[C@@H](O)[C@@H](O)[C@@H]2O)cc1.
What is the InChIKey of (2R,3S,4R,5R)-2-[(4-propylanilino)methyl]oxane-2,3,4,5-tetrol?
The InChIKey is NWVYYDQPIAQERZ-APIJFGDWSA-N. The full InChI is InChI=1S/C15H23NO5/c1-2-3-10-4-6-11(7-5-10)16-9-15(20)14(19)13(18)12(17)8-21-15/h4-7,12-14,16-20H,2-3,8-9H2,1H3/t12-,13-,14+,15-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-[(4-propylanilino)methyl]oxane-2,3,4,5-tetrol?
(2R,3S,4R,5R)-2-[(4-propylanilino)methyl]oxane-2,3,4,5-tetrol has a molecular weight of 297.35 g/mol, XLogP of -0.15, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-[(4-propylanilino)methyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 11551115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).