methyl 4-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate

C10H15N3O4 — CID 112633014

IUPACmethyl 4-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1Cc1nc(C)no1
InChIInChI=1S/C10H15N3O4/c1-6-11-9(17-12-6)5-13-4-7(14)3-8(13)10(15)16-2/h7-8,14H,3-5H2,1-2H3
InChIKeyHKNKNTQJDKVSDQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.51
Rot. Bonds3

About methyl 4-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate (PubChem CID 112633014) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl 4-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate
PubChem CID112633014
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Namemethyl 4-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1Cc1nc(C)no1
InChIInChI=1S/C10H15N3O4/c1-6-11-9(17-12-6)5-13-4-7(14)3-8(13)10(15)16-2/h7-8,14H,3-5H2,1-2H3
InChIKeyHKNKNTQJDKVSDQ-UHFFFAOYSA-N
XLogP-0.51
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-hydroxy-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidine-2-carboxylate
CID 112632716
methyl (3S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79038427
methyl (2R,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 134263030
methyl 1-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971591
methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632882
methyl 4-hydroxy-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 112632824
methyl (2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 99706083
methyl (2S,4S)-1-[(5-chlorothiophen-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 71850550
methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 112632795
methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate
CID 71850543
methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate
CID 112632826
methyl 4-hydroxy-1-(2-hydroxypropyl)pyrrolidine-2-carboxylate
CID 112632729

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate (CID 112633014) is methyl 4-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1Cc1nc(C)no1.
What is the InChIKey of methyl 4-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is HKNKNTQJDKVSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-6-11-9(17-12-6)5-13-4-7(14)3-8(13)10(15)16-2/h7-8,14H,3-5H2,1-2H3.
What are the key properties of methyl 4-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 241.25 g/mol, XLogP of -0.51, 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-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 112633014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).