methyl 4-hydroxy-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidine-2-carboxylate

C9H13N3O4 — CID 112632716

IUPACmethyl 4-hydroxy-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1Cc1ncno1
InChIInChI=1S/C9H13N3O4/c1-15-9(14)7-2-6(13)3-12(7)4-8-10-5-11-16-8/h5-7,13H,2-4H2,1H3
InChIKeyJKVXGDZFFHWYFS-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.82
Rot. Bonds3

About methyl 4-hydroxy-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidine-2-carboxylate (PubChem CID 112632716) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidine-2-carboxylate
PubChem CID112632716
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Namemethyl 4-hydroxy-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1Cc1ncno1
InChIInChI=1S/C9H13N3O4/c1-15-9(14)7-2-6(13)3-12(7)4-8-10-5-11-16-8/h5-7,13H,2-4H2,1H3
InChIKeyJKVXGDZFFHWYFS-UHFFFAOYSA-N
XLogP-0.82
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidine-2-carboxylate (CID 112632716) is methyl 4-hydroxy-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1Cc1ncno1.
What is the InChIKey of methyl 4-hydroxy-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidine-2-carboxylate?
The InChIKey is JKVXGDZFFHWYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-15-9(14)7-2-6(13)3-12(7)4-8-10-5-11-16-8/h5-7,13H,2-4H2,1H3.
What are the key properties of methyl 4-hydroxy-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidine-2-carboxylate has a molecular weight of 227.22 g/mol, XLogP of -0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 112632716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).