methyl (2S,4R)-4-hydroxy-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2-carboxylate

C11H13F3N2O3S — CID 99822543

IUPACmethyl (2S,4R)-4-hydroxy-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O)CN1Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H13F3N2O3S/c1-19-10(18)7-2-6(17)3-16(7)4-9-15-8(5-20-9)11(12,13)14/h5-7,17H,2-4H2,1H3/t6-,7+/m1/s1
InChIKeyRDFZIXLVVSHPHD-RQJHMYQMSA-N
MW310.30 g/mol
LogP1.27
Rot. Bonds3

About methyl (2S,4R)-4-hydroxy-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2-carboxylate

methyl (2S,4R)-4-hydroxy-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2-carboxylate (PubChem CID 99822543) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is methyl (2S,4R)-4-hydroxy-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-hydroxy-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2-carboxylate
PubChem CID99822543
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Namemethyl (2S,4R)-4-hydroxy-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O)CN1Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H13F3N2O3S/c1-19-10(18)7-2-6(17)3-16(7)4-9-15-8(5-20-9)11(12,13)14/h5-7,17H,2-4H2,1H3/t6-,7+/m1/s1
InChIKeyRDFZIXLVVSHPHD-RQJHMYQMSA-N
XLogP1.27
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2S,4R)-4-hydroxy-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2-carboxylate with MolForge

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Related Compounds

methyl (2S,4S)-4-hydroxy-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylate
CID 71918050
methyl 1-(2-cyclopropylethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632988
methyl 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholine-3-carboxylate
CID 115688127
methyl 4-hydroxy-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 112632824
methyl (2R,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 134263030
methyl 4-hydroxy-1-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylate
CID 115971709
methyl (2S,4R)-4-hydroxy-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylate
CID 99779014
2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 171704149
methyl 4-hydroxy-1-(3-hydroxy-3-methylbutyl)pyrrolidine-2-carboxylate
CID 112632679
methyl 4-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 112633014
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

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-hydroxy-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-4-hydroxy-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2-carboxylate (CID 99822543) is methyl (2S,4R)-4-hydroxy-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-hydroxy-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-hydroxy-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](O)CN1Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of methyl (2S,4R)-4-hydroxy-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2-carboxylate?
The InChIKey is RDFZIXLVVSHPHD-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-19-10(18)7-2-6(17)3-16(7)4-9-15-8(5-20-9)11(12,13)14/h5-7,17H,2-4H2,1H3/t6-,7+/m1/s1.
What are the key properties of methyl (2S,4R)-4-hydroxy-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2-carboxylate?
methyl (2S,4R)-4-hydroxy-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2-carboxylate has a molecular weight of 310.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-hydroxy-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 99822543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).