tert-butyl (2S)-2-[(5-thiophen-2-yl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate

C19H24N2O3S — CID 22961829

IUPACtert-butyl (2S)-2-[(5-thiophen-2-yl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1COc1cncc(-c2cccs2)c1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)24-18(22)21-8-4-6-15(21)13-23-16-10-14(11-20-12-16)17-7-5-9-25-17/h5,7,9-12,15H,4,6,8,13H2,1-3H3/t15-/m0/s1
InChIKeyFYHSYDIXZUWZPH-HNNXBMFYSA-N
MW360.48 g/mol
LogP4.59
Rot. Bonds4

About tert-butyl (2S)-2-[(5-thiophen-2-yl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[(5-thiophen-2-yl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate (PubChem CID 22961829) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(5-thiophen-2-yl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(5-thiophen-2-yl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
PubChem CID22961829
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Nametert-butyl (2S)-2-[(5-thiophen-2-yl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1COc1cncc(-c2cccs2)c1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)24-18(22)21-8-4-6-15(21)13-23-16-10-14(11-20-12-16)17-7-5-9-25-17/h5,7,9-12,15H,4,6,8,13H2,1-3H3/t15-/m0/s1
InChIKeyFYHSYDIXZUWZPH-HNNXBMFYSA-N
XLogP4.59
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2R)-2-[(5-bromo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 15480236
tert-butyl (2S)-2-[[5-(3-aminophenyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 22872652
tert-butyl (2S)-2-[[5-(3-fluoropropyl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate
CID 68826364
tert-butyl (2S)-2-[[5-[3-(hydroxymethyl)phenyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 70229857
tert-butyl (2R)-2-[[5-(5,5-dimethylhexa-1,3-dienyl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate
CID 54009539
tert-butyl (2S)-2-[(5-trimethylstannyl-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 10574471
tert-butyl (2R)-2-[(6-methyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 54565827
tert-butyl (2S)-2-[(5-chloro-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 10780459
tert-butyl 2-[(4-phenoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 69003420
tert-butyl (2S)-2-[(6-chloro-5-methyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 22961840
tert-butyl (2S)-2-[[5-[3-(3-hydroxypropyl)phenyl]-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate;3-[3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]phenyl]propan-1-ol
CID 157086129
tert-butyl 2-[[4-(4-phenylphenoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 69001108

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(5-thiophen-2-yl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(5-thiophen-2-yl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate (CID 22961829) is tert-butyl (2S)-2-[(5-thiophen-2-yl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(5-thiophen-2-yl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(5-thiophen-2-yl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1COc1cncc(-c2cccs2)c1.
What is the InChIKey of tert-butyl (2S)-2-[(5-thiophen-2-yl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate?
The InChIKey is FYHSYDIXZUWZPH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-19(2,3)24-18(22)21-8-4-6-15(21)13-23-16-10-14(11-20-12-16)17-7-5-9-25-17/h5,7,9-12,15H,4,6,8,13H2,1-3H3/t15-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(5-thiophen-2-yl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[(5-thiophen-2-yl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate has a molecular weight of 360.48 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(5-thiophen-2-yl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 22961829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).