2-amino-2-[(2R)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diol

C13H19NO3 — CID 129386578

IUPAC2-amino-2-[(2R)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diol
SMILESNC(CO)(CO)[C@@H]1CCc2cc(O)ccc2C1
InChIInChI=1S/C13H19NO3/c14-13(7-15,8-16)11-3-1-10-6-12(17)4-2-9(10)5-11/h2,4,6,11,15-17H,1,3,5,7-8,14H2/t11-/m1/s1
InChIKeyWVKUZTWBLWKFCL-LLVKDONJSA-N
MW237.30 g/mol
LogP0.18
Rot. Bonds3

About 2-amino-2-[(2R)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diol

2-amino-2-[(2R)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diol (PubChem CID 129386578) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-amino-2-[(2R)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-[(2R)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diol
PubChem CID129386578
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-amino-2-[(2R)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diol
SMILESNC(CO)(CO)[C@@H]1CCc2cc(O)ccc2C1
InChIInChI=1S/C13H19NO3/c14-13(7-15,8-16)11-3-1-10-6-12(17)4-2-9(10)5-11/h2,4,6,11,15-17H,1,3,5,7-8,14H2/t11-/m1/s1
InChIKeyWVKUZTWBLWKFCL-LLVKDONJSA-N
XLogP0.18
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(2R)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diol?
The IUPAC name of 2-amino-2-[(2R)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diol (CID 129386578) is 2-amino-2-[(2R)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diol.
What is the SMILES notation for 2-amino-2-[(2R)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diol?
The canonical SMILES for 2-amino-2-[(2R)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diol is NC(CO)(CO)[C@@H]1CCc2cc(O)ccc2C1.
What is the InChIKey of 2-amino-2-[(2R)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diol?
The InChIKey is WVKUZTWBLWKFCL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO3/c14-13(7-15,8-16)11-3-1-10-6-12(17)4-2-9(10)5-11/h2,4,6,11,15-17H,1,3,5,7-8,14H2/t11-/m1/s1.
What are the key properties of 2-amino-2-[(2R)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diol?
2-amino-2-[(2R)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diol has a molecular weight of 237.30 g/mol, XLogP of 0.18, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(2R)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diol is sourced from PubChem (CID 129386578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).