(2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)pyrrolidine-2-carboxylic acid

C7H9N3O5 — CID 10013514

IUPAC(2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](n2oc(=O)[nH]c2=O)CN1
InChIInChI=1S/C7H9N3O5/c11-5(12)4-1-3(2-8-4)10-6(13)9-7(14)15-10/h3-4,8H,1-2H2,(H,11,12)(H,9,13,14)/t3-,4+/m1/s1
InChIKeyIZKVRJOVEQYNBP-DMTCNVIQSA-N
MW215.16 g/mol
LogP-1.88
Rot. Bonds2

About (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 10013514) has the molecular formula C7H9N3O5 and a molecular weight of 215.16 g/mol. Its IUPAC name is (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID10013514
Molecular FormulaC7H9N3O5
Molecular Weight215.16 g/mol
Exact Mass215.05
IUPAC Name(2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](n2oc(=O)[nH]c2=O)CN1
InChIInChI=1S/C7H9N3O5/c11-5(12)4-1-3(2-8-4)10-6(13)9-7(14)15-10/h3-4,8H,1-2H2,(H,11,12)(H,9,13,14)/t3-,4+/m1/s1
InChIKeyIZKVRJOVEQYNBP-DMTCNVIQSA-N
XLogP-1.88
TPSA117.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)pyrrolidine-2-carboxylic acid (CID 10013514) is (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](n2oc(=O)[nH]c2=O)CN1.
What is the InChIKey of (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is IZKVRJOVEQYNBP-DMTCNVIQSA-N. The full InChI is InChI=1S/C7H9N3O5/c11-5(12)4-1-3(2-8-4)10-6(13)9-7(14)15-10/h3-4,8H,1-2H2,(H,11,12)(H,9,13,14)/t3-,4+/m1/s1.
What are the key properties of (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 215.16 g/mol, XLogP of -1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10013514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).