(5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol

C13H19NO3 — CID 155640920

IUPAC(5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol
SMILESCC(C)N[C@@H]1CCc2c(O)cc(O)cc2[C@H]1O
InChIInChI=1S/C13H19NO3/c1-7(2)14-11-4-3-9-10(13(11)17)5-8(15)6-12(9)16/h5-7,11,13-17H,3-4H2,1-2H3/t11-,13-/m1/s1
InChIKeyBDWGTHVYMBWQRJ-DGCLKSJQSA-N
MW237.30 g/mol
LogP1.44
Rot. Bonds2

About (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol

(5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol (PubChem CID 155640920) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol.

Molecular Properties

Compound Name(5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol
PubChem CID155640920
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol
SMILESCC(C)N[C@@H]1CCc2c(O)cc(O)cc2[C@H]1O
InChIInChI=1S/C13H19NO3/c1-7(2)14-11-4-3-9-10(13(11)17)5-8(15)6-12(9)16/h5-7,11,13-17H,3-4H2,1-2H3/t11-,13-/m1/s1
InChIKeyBDWGTHVYMBWQRJ-DGCLKSJQSA-N
XLogP1.44
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol
CID 138714544
(6R)-6-(cyclopentylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol
CID 138714542
(1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,7-diol
CID 96583640
(6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol
CID 138714546
5-(2-hydroxyethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol
CID 21425559
(1R,2R)-5-(hydroxymethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;dihydrate;hydrochloride
CID 90474531
(1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6,7-triol;2,2,2-trifluoroacetic acid
CID 138683118
5-chloro-6-methoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 13067565
5-(2-hydroxyethyl)-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 13286542
5-[benzyl(methyl)amino]-6-phenylmethoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol;oxalic acid
CID 21425573
trans-(1S,2S)-2-(propan-2-ylamino)cyclobutan-1-ol
CID 176810875
(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol?
The IUPAC name of (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol (CID 155640920) is (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol.
What is the SMILES notation for (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol?
The canonical SMILES for (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol is CC(C)N[C@@H]1CCc2c(O)cc(O)cc2[C@H]1O.
What is the InChIKey of (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol?
The InChIKey is BDWGTHVYMBWQRJ-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H19NO3/c1-7(2)14-11-4-3-9-10(13(11)17)5-8(15)6-12(9)16/h5-7,11,13-17H,3-4H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol?
(5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol has a molecular weight of 237.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol is sourced from PubChem (CID 155640920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).