(1S,2R,3S,4R)-4-amino-1-(4-hydroxyphenyl)cyclopentane-1,2,3-triol

C11H15NO4 — CID 175286689

IUPAC(1S,2R,3S,4R)-4-amino-1-(4-hydroxyphenyl)cyclopentane-1,2,3-triol
SMILESN[C@@H]1C[C@](O)(c2ccc(O)cc2)[C@H](O)[C@H]1O
InChIInChI=1S/C11H15NO4/c12-8-5-11(16,10(15)9(8)14)6-1-3-7(13)4-2-6/h1-4,8-10,13-16H,5,12H2/t8-,9+,10-,11+/m1/s1
InChIKeyVQUDOCOSROWGQY-YTWAJWBKSA-N
MW225.24 g/mol
LogP-0.97
Rot. Bonds1

About (1S,2R,3S,4R)-4-amino-1-(4-hydroxyphenyl)cyclopentane-1,2,3-triol

(1S,2R,3S,4R)-4-amino-1-(4-hydroxyphenyl)cyclopentane-1,2,3-triol (PubChem CID 175286689) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (1S,2R,3S,4R)-4-amino-1-(4-hydroxyphenyl)cyclopentane-1,2,3-triol.

Molecular Properties

Compound Name(1S,2R,3S,4R)-4-amino-1-(4-hydroxyphenyl)cyclopentane-1,2,3-triol
PubChem CID175286689
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(1S,2R,3S,4R)-4-amino-1-(4-hydroxyphenyl)cyclopentane-1,2,3-triol
SMILESN[C@@H]1C[C@](O)(c2ccc(O)cc2)[C@H](O)[C@H]1O
InChIInChI=1S/C11H15NO4/c12-8-5-11(16,10(15)9(8)14)6-1-3-7(13)4-2-6/h1-4,8-10,13-16H,5,12H2/t8-,9+,10-,11+/m1/s1
InChIKeyVQUDOCOSROWGQY-YTWAJWBKSA-N
XLogP-0.97
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 5-0.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4R)-4-amino-1-(4-hydroxyphenyl)cyclopentane-1,2,3-triol?
The IUPAC name of (1S,2R,3S,4R)-4-amino-1-(4-hydroxyphenyl)cyclopentane-1,2,3-triol (CID 175286689) is (1S,2R,3S,4R)-4-amino-1-(4-hydroxyphenyl)cyclopentane-1,2,3-triol.
What is the SMILES notation for (1S,2R,3S,4R)-4-amino-1-(4-hydroxyphenyl)cyclopentane-1,2,3-triol?
The canonical SMILES for (1S,2R,3S,4R)-4-amino-1-(4-hydroxyphenyl)cyclopentane-1,2,3-triol is N[C@@H]1C[C@](O)(c2ccc(O)cc2)[C@H](O)[C@H]1O.
What is the InChIKey of (1S,2R,3S,4R)-4-amino-1-(4-hydroxyphenyl)cyclopentane-1,2,3-triol?
The InChIKey is VQUDOCOSROWGQY-YTWAJWBKSA-N. The full InChI is InChI=1S/C11H15NO4/c12-8-5-11(16,10(15)9(8)14)6-1-3-7(13)4-2-6/h1-4,8-10,13-16H,5,12H2/t8-,9+,10-,11+/m1/s1.
What are the key properties of (1S,2R,3S,4R)-4-amino-1-(4-hydroxyphenyl)cyclopentane-1,2,3-triol?
(1S,2R,3S,4R)-4-amino-1-(4-hydroxyphenyl)cyclopentane-1,2,3-triol has a molecular weight of 225.24 g/mol, XLogP of -0.97, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4R)-4-amino-1-(4-hydroxyphenyl)cyclopentane-1,2,3-triol is sourced from PubChem (CID 175286689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).