(3S,5S)-pyrazolidine-3,5-dicarboxylic acid

C5H8N2O4 — CID 131008103

IUPAC(3S,5S)-pyrazolidine-3,5-dicarboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](C(=O)O)NN1
InChIInChI=1S/C5H8N2O4/c8-4(9)2-1-3(5(10)11)7-6-2/h2-3,6-7H,1H2,(H,8,9)(H,10,11)/t2-,3-/m0/s1
InChIKeyDZHITFAUGUDIQF-HRFVKAFMSA-N
MW160.13 g/mol
LogP-1.61
Rot. Bonds2

About (3S,5S)-pyrazolidine-3,5-dicarboxylic acid

(3S,5S)-pyrazolidine-3,5-dicarboxylic acid (PubChem CID 131008103) has the molecular formula C5H8N2O4 and a molecular weight of 160.13 g/mol. Its IUPAC name is (3S,5S)-pyrazolidine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name(3S,5S)-pyrazolidine-3,5-dicarboxylic acid
PubChem CID131008103
Molecular FormulaC5H8N2O4
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Name(3S,5S)-pyrazolidine-3,5-dicarboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](C(=O)O)NN1
InChIInChI=1S/C5H8N2O4/c8-4(9)2-1-3(5(10)11)7-6-2/h2-3,6-7H,1H2,(H,8,9)(H,10,11)/t2-,3-/m0/s1
InChIKeyDZHITFAUGUDIQF-HRFVKAFMSA-N
XLogP-1.61
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-1.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-pyrazolidine-3,5-dicarboxylic acid?
The IUPAC name of (3S,5S)-pyrazolidine-3,5-dicarboxylic acid (CID 131008103) is (3S,5S)-pyrazolidine-3,5-dicarboxylic acid.
What is the SMILES notation for (3S,5S)-pyrazolidine-3,5-dicarboxylic acid?
The canonical SMILES for (3S,5S)-pyrazolidine-3,5-dicarboxylic acid is O=C(O)[C@@H]1C[C@@H](C(=O)O)NN1.
What is the InChIKey of (3S,5S)-pyrazolidine-3,5-dicarboxylic acid?
The InChIKey is DZHITFAUGUDIQF-HRFVKAFMSA-N. The full InChI is InChI=1S/C5H8N2O4/c8-4(9)2-1-3(5(10)11)7-6-2/h2-3,6-7H,1H2,(H,8,9)(H,10,11)/t2-,3-/m0/s1.
What are the key properties of (3S,5S)-pyrazolidine-3,5-dicarboxylic acid?
(3S,5S)-pyrazolidine-3,5-dicarboxylic acid has a molecular weight of 160.13 g/mol, XLogP of -1.61, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-pyrazolidine-3,5-dicarboxylic acid is sourced from PubChem (CID 131008103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).