pyrrolidine-2,2,3-triol

C4H9NO3 — CID 54103203

IUPACpyrrolidine-2,2,3-triol
SMILESOC1CCNC1(O)O
InChIInChI=1S/C4H9NO3/c6-3-1-2-5-4(3,7)8/h3,5-8H,1-2H2
InChIKeyJUDGPHCJQCBWMO-UHFFFAOYSA-N
MW119.12 g/mol
LogP-2.02
Rot. Bonds

About pyrrolidine-2,2,3-triol

pyrrolidine-2,2,3-triol (PubChem CID 54103203) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is pyrrolidine-2,2,3-triol.

Molecular Properties

Compound Namepyrrolidine-2,2,3-triol
PubChem CID54103203
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Namepyrrolidine-2,2,3-triol
SMILESOC1CCNC1(O)O
InChIInChI=1S/C4H9NO3/c6-3-1-2-5-4(3,7)8/h3,5-8H,1-2H2
InChIKeyJUDGPHCJQCBWMO-UHFFFAOYSA-N
XLogP-2.02
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-2.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethylpyrrolidin-3-ol
CID 71669042
2-cyclopropyl-2-methylpyrrolidin-3-ol
CID 83826260
2,3,4-trihydroxypiperidine-2-carbaldehyde
CID 174706706
3-methylpiperidine-3,4-diol
CID 70672277
(4R,5R)-7-thia-1-azaspiro[4.4]nonan-4-ol
CID 125041418
6-azaspiro[3.5]nonan-9-ol
CID 82418041
(8R)-5-azaspiro[3.5]nonan-8-ol
CID 96637049
(3R)-2-amino-2-[(2S)-2-hydroxypropyl]pyrrolidin-3-ol
CID 91464233
(5R)-1-azaspiro[4.4]nonan-9-ol
CID 171034901
1-azaspiro[2.2]pentan-5-ol
CID 123819644
(6R,11S)-1-azaspiro[5.5]undecan-11-ol
CID 130985631
(6R,11R)-1-azaspiro[5.5]undecan-11-ol
CID 131195990

Frequently Asked Questions

What is the IUPAC name of pyrrolidine-2,2,3-triol?
The IUPAC name of pyrrolidine-2,2,3-triol (CID 54103203) is pyrrolidine-2,2,3-triol.
What is the SMILES notation for pyrrolidine-2,2,3-triol?
The canonical SMILES for pyrrolidine-2,2,3-triol is OC1CCNC1(O)O.
What is the InChIKey of pyrrolidine-2,2,3-triol?
The InChIKey is JUDGPHCJQCBWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c6-3-1-2-5-4(3,7)8/h3,5-8H,1-2H2.
What are the key properties of pyrrolidine-2,2,3-triol?
pyrrolidine-2,2,3-triol has a molecular weight of 119.12 g/mol, XLogP of -2.02, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-2,2,3-triol is sourced from PubChem (CID 54103203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).