1,3,4,5-tetrahydroxypyrrolidine-2-carboxylic acid

C5H9NO6 — CID 69103875

IUPAC1,3,4,5-tetrahydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1C(O)C(O)C(O)N1O
InChIInChI=1S/C5H9NO6/c7-2-1(5(10)11)6(12)4(9)3(2)8/h1-4,7-9,12H,(H,10,11)
InChIKeyFLNYNEVRIWGGGO-UHFFFAOYSA-N
MW179.13 g/mol
LogP-2.82
Rot. Bonds1

About 1,3,4,5-tetrahydroxypyrrolidine-2-carboxylic acid

1,3,4,5-tetrahydroxypyrrolidine-2-carboxylic acid (PubChem CID 69103875) has the molecular formula C5H9NO6 and a molecular weight of 179.13 g/mol. Its IUPAC name is 1,3,4,5-tetrahydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1,3,4,5-tetrahydroxypyrrolidine-2-carboxylic acid
PubChem CID69103875
Molecular FormulaC5H9NO6
Molecular Weight179.13 g/mol
Exact Mass179.04
IUPAC Name1,3,4,5-tetrahydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1C(O)C(O)C(O)N1O
InChIInChI=1S/C5H9NO6/c7-2-1(5(10)11)6(12)4(9)3(2)8/h1-4,7-9,12H,(H,10,11)
InChIKeyFLNYNEVRIWGGGO-UHFFFAOYSA-N
XLogP-2.82
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.13
LogP ≤ 5-2.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetrahydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1,3,4,5-tetrahydroxypyrrolidine-2-carboxylic acid (CID 69103875) is 1,3,4,5-tetrahydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1,3,4,5-tetrahydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1,3,4,5-tetrahydroxypyrrolidine-2-carboxylic acid is O=C(O)C1C(O)C(O)C(O)N1O.
What is the InChIKey of 1,3,4,5-tetrahydroxypyrrolidine-2-carboxylic acid?
The InChIKey is FLNYNEVRIWGGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO6/c7-2-1(5(10)11)6(12)4(9)3(2)8/h1-4,7-9,12H,(H,10,11).
What are the key properties of 1,3,4,5-tetrahydroxypyrrolidine-2-carboxylic acid?
1,3,4,5-tetrahydroxypyrrolidine-2-carboxylic acid has a molecular weight of 179.13 g/mol, XLogP of -2.82, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetrahydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 69103875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).