(6R)-6-(cyclopentylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol

C15H21NO3 — CID 138714542

IUPAC(6R)-6-(cyclopentylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol
SMILESOc1cc(O)c2c(c1)C(O)[C@H](NC1CCCC1)CC2
InChIInChI=1S/C15H21NO3/c17-10-7-12-11(14(18)8-10)5-6-13(15(12)19)16-9-3-1-2-4-9/h7-9,13,15-19H,1-6H2/t13-,15?/m1/s1
InChIKeyLPSQEOHQSYIVFI-AFYYWNPRSA-N
MW263.34 g/mol
LogP1.98
Rot. Bonds2

About (6R)-6-(cyclopentylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol

(6R)-6-(cyclopentylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol (PubChem CID 138714542) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (6R)-6-(cyclopentylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol.

Molecular Properties

Compound Name(6R)-6-(cyclopentylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol
PubChem CID138714542
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(6R)-6-(cyclopentylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol
SMILESOc1cc(O)c2c(c1)C(O)[C@H](NC1CCCC1)CC2
InChIInChI=1S/C15H21NO3/c17-10-7-12-11(14(18)8-10)5-6-13(15(12)19)16-9-3-1-2-4-9/h7-9,13,15-19H,1-6H2/t13-,15?/m1/s1
InChIKeyLPSQEOHQSYIVFI-AFYYWNPRSA-N
XLogP1.98
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (6R)-6-(cyclopentylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(cyclopentylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol?
The IUPAC name of (6R)-6-(cyclopentylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol (CID 138714542) is (6R)-6-(cyclopentylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol.
What is the SMILES notation for (6R)-6-(cyclopentylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol?
The canonical SMILES for (6R)-6-(cyclopentylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol is Oc1cc(O)c2c(c1)C(O)[C@H](NC1CCCC1)CC2.
What is the InChIKey of (6R)-6-(cyclopentylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol?
The InChIKey is LPSQEOHQSYIVFI-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H21NO3/c17-10-7-12-11(14(18)8-10)5-6-13(15(12)19)16-9-3-1-2-4-9/h7-9,13,15-19H,1-6H2/t13-,15?/m1/s1.
What are the key properties of (6R)-6-(cyclopentylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol?
(6R)-6-(cyclopentylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol has a molecular weight of 263.34 g/mol, XLogP of 1.98, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(cyclopentylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol is sourced from PubChem (CID 138714542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).