(1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol

C5H11NO3 — CID 11593442

IUPAC(1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol
SMILESN[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H11NO3/c6-2-1-3(7)5(9)4(2)8/h2-5,7-9H,1,6H2/t2-,3+,4-,5+/m1/s1
InChIKeyUUKWSEIZIMUXPU-LECHCGJUSA-N
MW133.15 g/mol
LogP-2.20
Rot. Bonds

About (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol

(1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol (PubChem CID 11593442) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol.

Molecular Properties

Compound Name(1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol
PubChem CID11593442
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol
SMILESN[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H11NO3/c6-2-1-3(7)5(9)4(2)8/h2-5,7-9H,1,6H2/t2-,3+,4-,5+/m1/s1
InChIKeyUUKWSEIZIMUXPU-LECHCGJUSA-N
XLogP-2.20
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-2.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol?
The IUPAC name of (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol (CID 11593442) is (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol.
What is the SMILES notation for (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol?
The canonical SMILES for (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol is N[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol?
The InChIKey is UUKWSEIZIMUXPU-LECHCGJUSA-N. The full InChI is InChI=1S/C5H11NO3/c6-2-1-3(7)5(9)4(2)8/h2-5,7-9H,1,6H2/t2-,3+,4-,5+/m1/s1.
What are the key properties of (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol?
(1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol has a molecular weight of 133.15 g/mol, XLogP of -2.20, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol is sourced from PubChem (CID 11593442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).