methyl (2R,4S)-1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate

C17H17F2NO4 — CID 99779031

IUPACmethyl (2R,4S)-1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@H](O)CN1Cc1ccc(-c2c(F)cccc2F)o1
InChIInChI=1S/C17H17F2NO4/c1-23-17(22)14-7-10(21)8-20(14)9-11-5-6-15(24-11)16-12(18)3-2-4-13(16)19/h2-6,10,14,21H,7-9H2,1H3/t10-,14+/m0/s1
InChIKeyOTLXQYNXGYTLOF-IINYFYTJSA-N
MW337.32 g/mol
LogP2.33
Rot. Bonds4

About methyl (2R,4S)-1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate

methyl (2R,4S)-1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 99779031) has the molecular formula C17H17F2NO4 and a molecular weight of 337.32 g/mol. Its IUPAC name is methyl (2R,4S)-1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate
PubChem CID99779031
Molecular FormulaC17H17F2NO4
Molecular Weight337.32 g/mol
Exact Mass337.11
IUPAC Namemethyl (2R,4S)-1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@H](O)CN1Cc1ccc(-c2c(F)cccc2F)o1
InChIInChI=1S/C17H17F2NO4/c1-23-17(22)14-7-10(21)8-20(14)9-11-5-6-15(24-11)16-12(18)3-2-4-13(16)19/h2-6,10,14,21H,7-9H2,1H3/t10-,14+/m0/s1
InChIKeyOTLXQYNXGYTLOF-IINYFYTJSA-N
XLogP2.33
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R,4S)-1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate with MolForge

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Related Compounds

methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632882
methyl 1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 86807022
methyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate
CID 124614909
methyl (2S,4S)-4-hydroxy-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxylate
CID 103886932
methyl 1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 112632963
4-hydroxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 114351529
methyl 1-[(4-bromo-3-fluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 91662422
methyl (2S,4S)-1-[[3-(2-fluorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 11938075
methyl 4-hydroxy-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-2-carboxylate
CID 112632942
methyl 4-hydroxy-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 112632824
methyl (2S,4R)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 56805035
methyl (2R,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 134263030

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R,4S)-1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate (CID 99779031) is methyl (2R,4S)-1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R,4S)-1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R,4S)-1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate is COC(=O)[C@H]1C[C@H](O)CN1Cc1ccc(-c2c(F)cccc2F)o1.
What is the InChIKey of methyl (2R,4S)-1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is OTLXQYNXGYTLOF-IINYFYTJSA-N. The full InChI is InChI=1S/C17H17F2NO4/c1-23-17(22)14-7-10(21)8-20(14)9-11-5-6-15(24-11)16-12(18)3-2-4-13(16)19/h2-6,10,14,21H,7-9H2,1H3/t10-,14+/m0/s1.
What are the key properties of methyl (2R,4S)-1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate?
methyl (2R,4S)-1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 337.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 99779031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).