4-aminocyclopentane-1,2,3-triol

C5H11NO3 — CID 21303210

IUPAC4-aminocyclopentane-1,2,3-triol
SMILESNC1CC(O)C(O)C1O
InChIInChI=1S/C5H11NO3/c6-2-1-3(7)5(9)4(2)8/h2-5,7-9H,1,6H2
InChIKeyUUKWSEIZIMUXPU-UHFFFAOYSA-N
MW133.15 g/mol
LogP-2.20
Rot. Bonds

About 4-aminocyclopentane-1,2,3-triol

4-aminocyclopentane-1,2,3-triol (PubChem CID 21303210) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 4-aminocyclopentane-1,2,3-triol.

Molecular Properties

Compound Name4-aminocyclopentane-1,2,3-triol
PubChem CID21303210
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name4-aminocyclopentane-1,2,3-triol
SMILESNC1CC(O)C(O)C1O
InChIInChI=1S/C5H11NO3/c6-2-1-3(7)5(9)4(2)8/h2-5,7-9H,1,6H2
InChIKeyUUKWSEIZIMUXPU-UHFFFAOYSA-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 4-aminocyclopentane-1,2,3-triol?
The IUPAC name of 4-aminocyclopentane-1,2,3-triol (CID 21303210) is 4-aminocyclopentane-1,2,3-triol.
What is the SMILES notation for 4-aminocyclopentane-1,2,3-triol?
The canonical SMILES for 4-aminocyclopentane-1,2,3-triol is NC1CC(O)C(O)C1O.
What is the InChIKey of 4-aminocyclopentane-1,2,3-triol?
The InChIKey is UUKWSEIZIMUXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c6-2-1-3(7)5(9)4(2)8/h2-5,7-9H,1,6H2.
What are the key properties of 4-aminocyclopentane-1,2,3-triol?
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 4-aminocyclopentane-1,2,3-triol is sourced from PubChem (CID 21303210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).