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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Related Compounds

methyl 4-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 112633014
5-(hydroxymethyl)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol
CID 164662264
methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 112632795
methyl (2S,4S)-4-hydroxy-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxylate
CID 103886932
methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632882
methyl (2R,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 134263030
methyl (2S,4S)-1-[(5-chlorothiophen-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 71850550
methyl (2R,4R)-4-hydroxy-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidine-2-carboxylate
CID 99822568
4-[(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)methyl]benzoic acid
CID 115971503
methyl (2S,4R)-4-hydroxy-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 56786277
methyl 1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 112632963
[4-[[(2S,4R)-4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 166431191

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).